A0A024RC21_HUMAN Loading...

Calcium-binding tyrosine phosphorylation-regulated protein

AlphaFold DB (O75952), UniProt , Accession A0A024RC21, Species HUMAN (Homo sapiens, Human), Gene CABYR, Length 493 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.7Very low75.5Confident240 Ų240136.7 Ų136.7100%1.18273%0.734SS**  0129.10-64.9157.474.600107.4
2I53.3Low77Confident168 Ų168138.2 Ų138.286%0.86272%0.723SS**  trans-90.3106.1177.3-32.3177000107S4I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.65Å
3S61.4Low78.3Confident105 Ų105128.5 Ų128.573%0.73468%0.677SS**  trans-79.185.8177.2-174.20000109.6K5S3-K5 VanDerWaalsContact C-N 3.25Å; S3-K5 PolarHBondContact O-N 2.81Å
4S70.3Confident79.5Confident107 Ų107124 Ų12475%0.74865%0.653SS**  trans-7476.8174.351.70000110.5I2I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.65Å
5K77.6Confident80.5Confident165 Ų165126.6 Ų126.672%0.71766%0.657SS**  trans-51.4124.5169.2-67.2-179.6178.6-179.80109S3 R7S3-K5 VanDerWaalsContact C-N 3.25Å; S3-K5 PolarHBondContact O-N 2.81Å; K5-R7 PolarHBondContact O-N 3.06Å
6P80.9Confident81.4Confident103 Ų103120.8 Ų120.867%0.66963%0.629SS**  trans-61124.7178.924.6-32.8000109.1
7R82.4Confident82.3Confident227 Ų227116.1 Ų116.186%0.85761%0.605SS**  trans-92.5109.4177.9-67.5-178.2178.2179.4-0.8108.2K5 V9K5-R7 PolarHBondContact O-N 3.06Å; R7-V9 HydrophobicContact CB-CG2 4.46Å; R7-V9 PolarHBondContact O-N 3.21Å
8L85.6Confident83.1Confident103 Ų103114.8 Ų114.854%0.53960%0.598SS.*  trans-66.9102.7170.2-171.672.6000109M379 I423L8-M379 HydrophobicContact CB-CE 4.5Å; L8-M379 HydrophobicContact CD2-CE 3.61Å; L8-I423 HydrophobicContact CD2-CD1 4.29Å
9V88.8Confident83.7Confident109 Ų109112.9 Ų112.966%0.66159%0.586SS**  trans-94.9102.8176.2-1800000108.5R7 P11R7-V9 HydrophobicContact CB-CG2 4.46Å; R7-V9 PolarHBondContact O-N 3.21Å; V9-P11 VanDerWaalsContact O-CD 3.32Å; V9-P11 WeakPolarHBondContact O-CD 3.32Å
10V89.2Confident84.3Confident100 Ų100107.4 Ų107.461%0.60656%0.558SS**PPolyproline II helixtrans-67.3120.7173.2179.70000109L14V10-L14 HydrophobicContact CG1-CB 4.49Å; V10-L14 HydrophobicContact CG1-CD2 4.35Å
11P92.1Very high84.9Confident77 Ų77103.1 Ų103.150%0.554%0.535SS..PPolyproline II helixtrans-59.9138.6-178.2-26.235.4000112.9V9 G13 L14V9-P11 VanDerWaalsContact O-CD 3.32Å; V9-P11 WeakPolarHBondContact O-CD 3.32Å; P11-G13 PolarHBondContact O-N 3.1Å; P11-L14 HydrophobicContact CB-CB 4.44Å; P11-L14 WeakPolarHBondContact O-CB 3.32Å; P11-L14 PolarHBondContact O-N 2.86Å; P11-L14 VanDerWaalsContact O-N 3.11Å
12Y94Very high87.2Confident154 Ų15494.8 Ų94.860%0.60450%0.501SS*.THydrogen-bonded Turntrans-58.5129.5177.2177.6-102.9000110.9D54 I55 K56Y12-D54 VanDerWaalsContact CE1-OD1 3.23Å; Y12-D54 WeakPolarHBondContact CE1-OD1 3.43Å; Y12-D54 PolarHBondContact OH-OD1 2.92Å; Y12-D54 PolarHBondContact OH-OD2 3.31Å; Y12-I55 HydrophobicContact CD1-CG2 3.98Å; Y12-I55 HydrophobicContact CE1-CG2 3.53Å; Y12-K56 WeakPolarHBondContact OH-CE 3.49Å; Y12-K56 PolarHBondContact OH-NZ 3.32Å
13G93.5Very high89.2Confident12 Ų1294 Ų9412%0.12449%0.487CS..THydrogen-bonded Turntrans88.6-13.8-178.500000115.8P11 K15 T16 L17 I55P11-G13 PolarHBondContact O-N 3.1Å; G13-K15 VanDerWaalsContact C-N 3.3Å; G13-K15 PolarHBondContact O-N 2.88Å; G13-T16 PolarHBondContact O-N 2.66Å; G13-L17 PolarHBondContact O-N 3.48Å; G13-I55 VanDerWaalsContact CA-CG2 3.47Å
14L94.7Very high90.8Very high66 Ų6689 Ų8935%0.34645%0.452SS..Hα-helixtrans-54.7-44.6-176.9179.760.3000112.2V10 P11 T16 L17 L18V10-L14 HydrophobicContact CG1-CB 4.49Å; V10-L14 HydrophobicContact CG1-CD2 4.35Å; P11-L14 HydrophobicContact CB-CB 4.44Å; P11-L14 WeakPolarHBondContact O-CB 3.32Å; P11-L14 PolarHBondContact O-N 2.86Å; P11-L14 VanDerWaalsContact O-N 3.11Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 3.15Å; L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 HydrophobicContact CG-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CB 3.17Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.47Å
15K94.8Very high92Very high163 Ų16385 Ų8571%0.70942%0.423SS*.Hα-helixtrans-54.5-46.1174.4177170-179.7167.30112.5G13 E19G13-K15 VanDerWaalsContact C-N 3.3Å; G13-K15 PolarHBondContact O-N 2.88Å; K15-E19 WeakPolarHBondContact O-CB 3.16Å; K15-E19 PolarHBondContact O-N 3.17Å
16T95.8Very high92.7Very high33 Ų3383.5 Ų83.520%0.20242%0.422CS..Hα-helixtrans-74.5-30-178.2-53.30000112.2G13 L14 G20 K56 V59G13-T16 PolarHBondContact O-N 2.66Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.27Å; T16-G20 PolarHBondContact O-N 3.22Å; T16-K56 HydrophobicContact CG2-CB 4.33Å; T16-K56 HydrophobicContact CG2-CG 4.11Å; T16-V59 HydrophobicContact CG2-CB 4.32Å; T16-V59 HydrophobicContact CG2-CG1 4.34Å
17L95.9Very high93.3Very high42 Ų4282.5 Ų82.522%0.2241%0.408CS..Hα-helixtrans-66.6-47.4172.8-173.963.6000111.3G13 L14 G20 I21 Y40 F41 L44 V59G13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.15Å; L17-G20 PolarHBondContact O-N 2.81Å; L17-I21 WeakPolarHBondContact O-CG2 3.5Å; L17-I21 PolarHBondContact O-N 2.97Å; L17-Y40 HydrophobicContact CD1-CE1 4.36Å; L17-F41 HydrophobicContact CD1-CD1 3.94Å; L17-F41 HydrophobicContact CD1-CE1 3.61Å; L17-F41 HydrophobicContact CD2-CD1 4.47Å; L17-F41 HydrophobicContact CD2-CE1 4.01Å; L17-F41 HydrophobicContact CG-CD1 4.37Å; L17-F41 HydrophobicContact CG-CE1 3.68Å; L17-F41 HydrophobicContact CG-CZ 4.48Å; L17-L44 HydrophobicContact CD1-CD2 3.36Å; L17-V59 HydrophobicContact CD1-CG2 4.37Å
18L96.5Very high93.7Very high92 Ų9273.5 Ų73.548%0.48238%0.378SS..Hα-helixtrans-63.1-48.4175-70174.3000111.8L14 G20 I21 S22L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 HydrophobicContact CG-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CB 3.17Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.47Å; L18-G20 PolarHBondContact O-N 2.69Å; L18-I21 VanDerWaalsContact O-CG2 3.28Å; L18-I21 WeakPolarHBondContact O-CG2 3.4Å; L18-I21 PolarHBondContact O-N 3.17Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.19Å; L18-S22 PolarHBondContact O-OG 2.87Å; L18-S22 VanDerWaalsContact O-OG 3.11Å
19E95.7Very high94.1Very high79 Ų7975.4 Ų75.437%0.36939%0.389SS..Hα-helixtrans-58.2-39.1175.2-170-170.3152.500111.5K15 R23K15-E19 WeakPolarHBondContact O-CB 3.16Å; K15-E19 PolarHBondContact O-N 3.17Å; E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 WeakPolarHBondContact O-CD 3.19Å; E19-R23 WeakPolarHBondContact O-CG 3.34Å; E19-R23 PolarHBondContact O-N 2.61Å; E19-R23 IonicContact OE1-CZ 2.69Å; E19-R23 VanDerWaalsContact OE1-CZ 3.27Å; E19-R23 IonicContact OE1-NE 2.68Å; E19-R23 PolarHBondContact OE1-NE 3.48Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.26Å
20G95.7Very high94.3Very high2 Ų271.6 Ų71.62%0.02137%0.366CS..Hα-helixtrans-61.5-57.6174.300000112.8T16 L17 L18 S22 R23 A24 H63T16-G20 PolarHBondContact O-N 3.22Å; L17-G20 PolarHBondContact O-N 2.81Å; L18-G20 PolarHBondContact O-N 2.69Å; G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.69Å; G20-R23 WeakPolarHBondContact O-CB 3.48Å; G20-R23 PolarHBondContact O-N 3.19Å; G20-A24 PolarHBondContact O-N 3.01Å; G20-H63 WeakPolarHBondContact CA-CE1 3.28Å; G20-H63 PolarHBondContact O-CE1 3.08Å; G20-H63 PolarHBondContact O-NE2 3.04Å
21I96.1Very high94.6Very high18 Ų1873.3 Ų73.39%0.09238%0.383CS..Hα-helixtrans-61.5-38.7179.9-174.7171.9000112L17 L18 R23 A24 V25 A37 Y40 F41L17-I21 WeakPolarHBondContact O-CG2 3.5Å; L17-I21 PolarHBondContact O-N 2.97Å; L18-I21 VanDerWaalsContact O-CG2 3.28Å; L18-I21 WeakPolarHBondContact O-CG2 3.4Å; L18-I21 PolarHBondContact O-N 3.17Å; I21-R23 PolarHBondContact O-N 3.15Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.29Å; I21-A24 VanDerWaalsContact O-N 3.13Å; I21-V25 HydrophobicContact CG1-CG2 4.06Å; I21-V25 WeakPolarHBondContact O-CB 3.27Å; I21-V25 VanDerWaalsContact O-CG2 3.32Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.41Å; I21-A37 VanDerWaalsContact CD1-CA 3.49Å; I21-A37 HydrophobicContact CD1-CB 3.36Å; I21-Y40 HydrophobicContact CB-CD1 4.01Å; I21-Y40 HydrophobicContact CB-CE1 3.9Å; I21-Y40 HydrophobicContact CD1-CD1 4.24Å; I21-Y40 HydrophobicContact CG1-CD1 4.17Å; I21-Y40 HydrophobicContact CG1-CG 4.36Å; I21-F41 HydrophobicContact CB-CE1 4.45Å; I21-F41 HydrophobicContact CB-CZ 4.3Å; I21-F41 HydrophobicContact CD1-CE1 4.37Å; I21-F41 HydrophobicContact CD1-CE2 3.92Å; I21-F41 HydrophobicContact CD1-CZ 3.67Å; I21-F41 HydrophobicContact CG2-CZ 4.19Å
22S96.1Very high94.7Very high66 Ų6672.7 Ų72.746%0.46238%0.375SS..Hα-helixtrans-61.3-43.9175.3-650000112.2L18 G20 A24 V25 L26L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.19Å; L18-S22 PolarHBondContact O-OG 2.87Å; L18-S22 VanDerWaalsContact O-OG 3.11Å; G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.69Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 2.86Å; S22-V25 PolarHBondContact O-N 2.97Å; S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.27Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.3Å
23R95.2Very high94.8Very high151 Ų15170 Ų7057%0.5737%0.37SS*.Hα-helixtrans-60.4-40.8172.4-73.2163.4177.4-98.66.9111.6E19 G20 I21 K27E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 WeakPolarHBondContact O-CD 3.19Å; E19-R23 WeakPolarHBondContact O-CG 3.34Å; E19-R23 PolarHBondContact O-N 2.61Å; E19-R23 IonicContact OE1-CZ 2.69Å; E19-R23 VanDerWaalsContact OE1-CZ 3.27Å; E19-R23 IonicContact OE1-NE 2.68Å; E19-R23 PolarHBondContact OE1-NE 3.48Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.26Å; G20-R23 WeakPolarHBondContact O-CB 3.48Å; G20-R23 PolarHBondContact O-N 3.19Å; I21-R23 PolarHBondContact O-N 3.15Å; R23-K27 WeakPolarHBondContact O-CB 3.32Å; R23-K27 PolarHBondContact O-N 3.1Å; R23-K27 VanDerWaalsContact O-N 3.12Å
24A94.9Very high95Very high0 Ų075.1 Ų75.10%040%0.395CS..Hα-helixtrans-67.2-46.8179.300000112.2G20 I21 S22 K27 T28 F36 Y40 V67G20-A24 PolarHBondContact O-N 3.01Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.29Å; I21-A24 VanDerWaalsContact O-N 3.13Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 2.86Å; A24-K27 PolarHBondContact O-N 2.68Å; A24-K27 VanDerWaalsContact O-N 3.1Å; A24-T28 PolarHBondContact O-N 3.35Å; A24-T28 PolarHBondContact O-OG1 3.24Å; A24-F36 HydrophobicContact CB-CE1 3.89Å; A24-F36 HydrophobicContact CB-CZ 3.93Å; A24-Y40 HydrophobicContact CB-CD2 3.93Å; A24-Y40 HydrophobicContact CB-CE2 3.85Å; A24-V67 HydrophobicContact CB-CG1 3.8Å; A24-V67 HydrophobicContact CB-CG2 4.17Å
25V95.8Very high95Very high23 Ų2378.7 Ų78.714%0.13941%0.409CS..Hα-helixtrans-58.4-47.3175.5169.30000110.9I21 S22 K27 T28 N29 P30 I33 F36I21-V25 HydrophobicContact CG1-CG2 4.06Å; I21-V25 WeakPolarHBondContact O-CB 3.27Å; I21-V25 VanDerWaalsContact O-CG2 3.32Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.41Å; S22-V25 PolarHBondContact O-N 2.97Å; V25-K27 PolarHBondContact O-N 3.1Å; V25-T28 PolarHBondContact O-N 3.29Å; V25-N29 WeakPolarHBondContact O-CA 3.44Å; V25-N29 PolarHBondContact O-N 3.02Å; V25-P30 HydrophobicContact CG1-CG 4.19Å; V25-P30 HydrophobicContact CG2-CG 4.41Å; V25-P30 WeakPolarHBondContact O-CD 3.36Å; V25-I33 HydrophobicContact CG1-CD1 4.26Å; V25-I33 HydrophobicContact CG1-CG1 4.21Å; V25-I33 HydrophobicContact CG2-CG2 4.13Å; V25-F36 HydrophobicContact CB-CE1 4.42Å; V25-F36 HydrophobicContact CG2-CD1 3.55Å; V25-F36 HydrophobicContact CG2-CE1 3.64Å
26L93.9Very high95.1Very high134 Ų13472.3 Ų72.370%0.70238%0.382SS*.Hα-helixtrans-62.8-27.8176.6-72.2169.8000113S22S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.27Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.3Å
27K92.8Very high95.2Very high82 Ų8271.5 Ų71.536%0.35738%0.379SS..Hα-helixtrans-86.8-32.2-179.5-153.3-168.2-172.9-154.50113.8R23 A24 V25 E68 S71R23-K27 WeakPolarHBondContact O-CB 3.32Å; R23-K27 PolarHBondContact O-N 3.1Å; R23-K27 VanDerWaalsContact O-N 3.12Å; A24-K27 PolarHBondContact O-N 2.68Å; A24-K27 VanDerWaalsContact O-N 3.1Å; V25-K27 PolarHBondContact O-N 3.1Å; K27-E68 IonicContact NZ-OE1 2.77Å; K27-E68 PolarHBondContact NZ-OE1 3.01Å; K27-E68 IonicContact NZ-OE2 2.61Å; K27-E68 PolarHBondContact NZ-OE2 3.12Å; K27-S71 VanDerWaalsContact CE-OG 3.32Å; K27-S71 WeakPolarHBondContact CE-OG 3.31Å; K27-S71 PolarHBondContact NZ-OG 3.47Å
28T91.8Very high95.2Very high38 Ų3872.5 Ų72.523%0.23339%0.393CS..Hα-helixtrans-98-20.2-178.458.40000113.7A24 V25 F36 W70A24-T28 PolarHBondContact O-N 3.35Å; A24-T28 PolarHBondContact O-OG1 3.24Å; V25-T28 PolarHBondContact O-N 3.29Å; T28-F36 HydrophobicContact CG2-CE2 3.91Å; T28-F36 HydrophobicContact CG2-CZ 3.96Å; T28-F36 WeakPolarHBondContact OG1-CE2 3.37Å; T28-F36 WeakPolarHBondContact OG1-CZ 3.34Å; T28-W70 HydrophobicContact CG2-CB 3.66Å; T28-W70 HydrophobicContact CG2-CE3 4.16Å
29N93.1Very high95.1Very high143 Ų14370.2 Ų70.277%0.76539%0.387SS*.  trans46.461.8-175.1-166.229000113.3V25V25-N29 WeakPolarHBondContact O-CA 3.44Å; V25-N29 PolarHBondContact O-N 3.02Å
30P93.8Very high95.1Very high28 Ų2866.4 Ų66.418%0.18237%0.369CS..  trans-72.7139.1-173.231.8-34.4000111.5V25 N32 I33 F36V25-P30 HydrophobicContact CG1-CG 4.19Å; V25-P30 HydrophobicContact CG2-CG 4.41Å; V25-P30 WeakPolarHBondContact O-CD 3.36Å; P30-N32 PolarHBondContact O-N 2.95Å; P30-I33 HydrophobicContact CG-CG1 4.44Å; P30-F36 HydrophobicContact CB-CB 3.69Å; P30-F36 HydrophobicContact CB-CD2 3.86Å; P30-F36 HydrophobicContact CB-CG 3.8Å; P30-F36 HydrophobicContact CG-CB 3.79Å; P30-F36 HydrophobicContact CG-CD1 4Å; P30-F36 HydrophobicContact CG-CD2 4.11Å; P30-F36 HydrophobicContact CG-CG 3.7Å
31S94.6Very high95.1Very high137 Ų13769.7 Ų69.796%0.95838%0.383SS*.SBendtrans-66.5-17.6177.153.50000114.3
32N95.1Very high95.1Very high64 Ų6475.1 Ų75.134%0.34241%0.408SS..  trans-138.4109.3171.1-174.7-49.4000109.4P30 N34 Q35 F36P30-N32 PolarHBondContact O-N 2.95Å; N32-N34 VanDerWaalsContact C-N 3.34Å; N32-N34 PolarHBondContact O-N 2.87Å; N32-N34 PolarHBondContact OD1-N 3.45Å; N32-Q35 HydrophobicContact CB-CB 4.23Å; N32-Q35 HydrophobicContact CB-CG 4.34Å; N32-Q35 PolarHBondContact OD1-N 3Å; N32-F36 WeakPolarHBondContact O-CB 3.48Å; N32-F36 PolarHBondContact O-N 3.22Å; N32-F36 VanDerWaalsContact O-N 3.11Å
33I95.9Very high95Very high96 Ų9674.5 Ų74.549%0.49240%0.398SS..Hα-helixtrans-66.2-36.6-176.6-60.8176.4000111.3V25 P30 F36 A37V25-I33 HydrophobicContact CG1-CD1 4.26Å; V25-I33 HydrophobicContact CG1-CG1 4.21Å; V25-I33 HydrophobicContact CG2-CG2 4.13Å; P30-I33 HydrophobicContact CG-CG1 4.44Å; I33-F36 PolarHBondContact O-N 3.38Å; I33-A37 WeakPolarHBondContact O-CB 3.16Å; I33-A37 PolarHBondContact O-N 3.14Å
34N96.5Very high95Very high121 Ų12167.7 Ų67.765%0.64737%0.373SS*.Hα-helixtrans-70.2-43-176.9-63.6-9.2000111.8N32 A37 A38N32-N34 VanDerWaalsContact C-N 3.34Å; N32-N34 PolarHBondContact O-N 2.87Å; N32-N34 PolarHBondContact OD1-N 3.45Å; N34-A37 WeakPolarHBondContact O-CB 3.39Å; N34-A37 PolarHBondContact O-N 3.47Å; N34-A38 PolarHBondContact O-N 3.02Å
35Q96.1Very high94.9Very high140 Ų14072.4 Ų72.465%0.65440%0.402SS*.Hα-helixtrans-66.2-39.6174.1-68.4-1795.700111.6N32 A37 A38 A39N32-Q35 HydrophobicContact CB-CB 4.23Å; N32-Q35 HydrophobicContact CB-CG 4.34Å; N32-Q35 PolarHBondContact OD1-N 3Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 3.12Å; Q35-A38 PolarHBondContact O-N 3.49Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.15Å; Q35-A39 VanDerWaalsContact O-N 3.07Å
36F96.2Very high94.7Very high29 Ų2977.5 Ų77.513%0.12743%0.426CS..Hα-helixtrans-63.1-38.2172.7-178.9-94.9000112A24 V25 T28 P30 N32 I33 A39 Y40 W70A24-F36 HydrophobicContact CB-CE1 3.89Å; A24-F36 HydrophobicContact CB-CZ 3.93Å; V25-F36 HydrophobicContact CB-CE1 4.42Å; V25-F36 HydrophobicContact CG2-CD1 3.55Å; V25-F36 HydrophobicContact CG2-CE1 3.64Å; T28-F36 HydrophobicContact CG2-CE2 3.91Å; T28-F36 HydrophobicContact CG2-CZ 3.96Å; T28-F36 WeakPolarHBondContact OG1-CE2 3.37Å; T28-F36 WeakPolarHBondContact OG1-CZ 3.34Å; P30-F36 HydrophobicContact CB-CB 3.69Å; P30-F36 HydrophobicContact CB-CD2 3.86Å; P30-F36 HydrophobicContact CB-CG 3.8Å; P30-F36 HydrophobicContact CG-CB 3.79Å; P30-F36 HydrophobicContact CG-CD1 4Å; P30-F36 HydrophobicContact CG-CD2 4.11Å; P30-F36 HydrophobicContact CG-CG 3.7Å; N32-F36 WeakPolarHBondContact O-CB 3.48Å; N32-F36 PolarHBondContact O-N 3.22Å; N32-F36 VanDerWaalsContact O-N 3.11Å; I33-F36 PolarHBondContact O-N 3.38Å; F36-A39 PolarHBondContact O-N 2.93Å; F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 2.64Å; F36-W70 HydrophobicContact CE1-CZ3 4.41Å; F36-W70 AromaticContact CE2-CE3 3.65Å; F36-W70 HydrophobicContact CE2-CE3 3.65Å; F36-W70 AromaticContact CE2-CZ3 3.56Å; F36-W70 HydrophobicContact CE2-CZ3 3.56Å; F36-W70 AromaticContact CZ-CE3 3.7Å; F36-W70 HydrophobicContact CZ-CE3 3.7Å; F36-W70 AromaticContact CZ-CZ3 3.5Å; F36-W70 HydrophobicContact CZ-CZ3 3.5Å; F36-W70 VanDerWaalsContact CZ-CZ3 3.5Å
37A96.6Very high94.6Very high17 Ų1774.5 Ų74.514%0.1441%0.406CS..Hα-helixtrans-63.4-47.7176.500000112.3I21 I33 N34 Q35 A39 Y40 F41I21-A37 VanDerWaalsContact CD1-CA 3.49Å; I21-A37 HydrophobicContact CD1-CB 3.36Å; I33-A37 WeakPolarHBondContact O-CB 3.16Å; I33-A37 PolarHBondContact O-N 3.14Å; N34-A37 WeakPolarHBondContact O-CB 3.39Å; N34-A37 PolarHBondContact O-N 3.47Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 3.12Å; A37-A39 PolarHBondContact O-N 3.25Å; A37-Y40 PolarHBondContact O-N 2.7Å; A37-F41 HydrophobicContact CB-CE2 4.16Å; A37-F41 WeakPolarHBondContact O-CD2 3.42Å; A37-F41 WeakPolarHBondContact O-CG 3.35Å; A37-F41 PolarHBondContact O-N 2.99Å
38A96.6Very high94.6Very high63 Ų6376.7 Ų76.752%0.52141%0.412SS..Hα-helixtrans-57.9-48.3175.500000111.4N34 Q35 Y40 F41 Q42N34-A38 PolarHBondContact O-N 3.02Å; Q35-A38 PolarHBondContact O-N 3.49Å; A38-Y40 PolarHBondContact O-N 3.46Å; A38-F41 PolarHBondContact O-N 3.06Å; A38-Q42 VanDerWaalsContact O-CB 3.29Å; A38-Q42 WeakPolarHBondContact O-CB 3.32Å; A38-Q42 PolarHBondContact O-N 2.98Å
39A94.5Very high94.3Very high43 Ų4377.6 Ų77.636%0.35543%0.428SS..Hα-helixtrans-62.6-40.7176.500000112.6Q35 F36 A37 E43Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.15Å; Q35-A39 VanDerWaalsContact O-N 3.07Å; F36-A39 PolarHBondContact O-N 2.93Å; A37-A39 PolarHBondContact O-N 3.25Å; A39-E43 VanDerWaalsContact O-CB 3.3Å; A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.4Å; A39-E43 PolarHBondContact O-N 3.2Å
40Y96.2Very high93.5Very high0 Ų078.5 Ų78.50%043%0.433CS..Hα-helixtrans-62.8-46.9176.9172.7-83.9000112L17 I21 A24 F36 A37 A38 L44 F62 H63 V67 W70L17-Y40 HydrophobicContact CD1-CE1 4.36Å; I21-Y40 HydrophobicContact CB-CD1 4.01Å; I21-Y40 HydrophobicContact CB-CE1 3.9Å; I21-Y40 HydrophobicContact CD1-CD1 4.24Å; I21-Y40 HydrophobicContact CG1-CD1 4.17Å; I21-Y40 HydrophobicContact CG1-CG 4.36Å; A24-Y40 HydrophobicContact CB-CD2 3.93Å; A24-Y40 HydrophobicContact CB-CE2 3.85Å; F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 2.64Å; A37-Y40 PolarHBondContact O-N 2.7Å; A38-Y40 PolarHBondContact O-N 3.46Å; Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.21Å; Y40-L44 PolarHBondContact O-N 3.48Å; Y40-F62 AromaticContact CD2-CE1 3.73Å; Y40-F62 HydrophobicContact CD2-CE1 3.73Å; Y40-F62 AromaticContact CE2-CD1 3.91Å; Y40-F62 HydrophobicContact CE2-CD1 3.91Å; Y40-F62 AromaticContact CE2-CE1 3.53Å; Y40-F62 HydrophobicContact CE2-CE1 3.53Å; Y40-H63 PolarHBondContact OH-CE1 2.75Å; Y40-H63 VanDerWaalsContact OH-CE1 3.32Å; Y40-V67 HydrophobicContact CE2-CG2 4.17Å; Y40-W70 HydrophobicContact CD2-CH2 4.29Å; Y40-W70 HydrophobicContact CD2-CZ3 4Å
41F95.5Very high92.9Very high71 Ų7179.9 Ų79.931%0.31144%0.441SS..Hα-helixtrans-72-33.9178.8-61.4-48.5000112.7L17 I21 A37 A38 T45L17-F41 HydrophobicContact CD1-CD1 3.94Å; L17-F41 HydrophobicContact CD1-CE1 3.61Å; L17-F41 HydrophobicContact CD2-CD1 4.47Å; L17-F41 HydrophobicContact CD2-CE1 4.01Å; L17-F41 HydrophobicContact CG-CD1 4.37Å; L17-F41 HydrophobicContact CG-CE1 3.68Å; L17-F41 HydrophobicContact CG-CZ 4.48Å; I21-F41 HydrophobicContact CB-CE1 4.45Å; I21-F41 HydrophobicContact CB-CZ 4.3Å; I21-F41 HydrophobicContact CD1-CE1 4.37Å; I21-F41 HydrophobicContact CD1-CE2 3.92Å; I21-F41 HydrophobicContact CD1-CZ 3.67Å; I21-F41 HydrophobicContact CG2-CZ 4.19Å; A37-F41 HydrophobicContact CB-CE2 4.16Å; A37-F41 WeakPolarHBondContact O-CD2 3.42Å; A37-F41 WeakPolarHBondContact O-CG 3.35Å; A37-F41 PolarHBondContact O-N 2.99Å; A38-F41 PolarHBondContact O-N 3.06Å; F41-T45 VanDerWaalsContact O-CB 3.31Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 PolarHBondContact O-N 3.38Å; F41-T45 PolarHBondContact O-OG1 3.36Å
42Q95.4Very high92.5Very high131 Ų13180.2 Ų80.261%0.61244%0.438SS*.Hα-helixtrans-62.3-48.7172.3-174.51801000111.3A38 T45 M46A38-Q42 VanDerWaalsContact O-CB 3.29Å; A38-Q42 WeakPolarHBondContact O-CB 3.32Å; A38-Q42 PolarHBondContact O-N 2.98Å; Q42-T45 PolarHBondContact O-N 3.5Å; Q42-M46 WeakPolarHBondContact O-CB 3.44Å; Q42-M46 PolarHBondContact O-N 3Å
43E94.1Very high92.3Very high53 Ų5380.6 Ų80.625%0.24844%0.438CS..Hα-helixtrans-68.5-35.6178.1-79.8-86.6-122.900112.7A39 M46 Y47 F62 K66 W70A39-E43 VanDerWaalsContact O-CB 3.3Å; A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.4Å; A39-E43 PolarHBondContact O-N 3.2Å; E43-M46 PolarHBondContact O-N 3.13Å; E43-Y47 WeakPolarHBondContact O-CB 3.29Å; E43-Y47 PolarHBondContact O-N 2.89Å; E43-F62 VanDerWaalsContact C-CE2 3.5Å; E43-F62 HydrophobicContact CB-CE2 3.94Å; E43-F62 HydrophobicContact CB-CZ 3.79Å; E43-F62 WeakPolarHBondContact O-CE2 3.35Å; E43-K66 WeakPolarHBondContact OE1-CE 3.45Å; E43-K66 IonicContact OE1-NZ 3.06Å; E43-K66 PolarHBondContact OE1-NZ 3.49Å; E43-K66 WeakPolarHBondContact OE2-CE 3.23Å; E43-K66 IonicContact OE2-NZ 2.7Å; E43-K66 PolarHBondContact OE2-NZ 2.66Å; E43-W70 HydrophobicContact CB-CZ2 4.42Å; E43-W70 HydrophobicContact CG-CZ2 4.36Å
44L94.6Very high92.2Very high9 Ų978.8 Ų78.85%0.04743%0.429CS..Hα-helixtrans-65.5-40173.7-177.366.9000111.5L17 Y40 Y47 R48 L58 V59 F62L17-L44 HydrophobicContact CD1-CD2 3.36Å; Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.21Å; Y40-L44 PolarHBondContact O-N 3.48Å; L44-Y47 PolarHBondContact O-N 3.42Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.29Å; L44-L58 HydrophobicContact CD1-CD2 4.39Å; L44-L58 HydrophobicContact CD1-CG 4.08Å; L44-V59 HydrophobicContact CD1-CG2 4.38Å; L44-V59 HydrophobicContact CD2-CG2 4.19Å; L44-F62 HydrophobicContact CB-CE2 4.37Å; L44-F62 HydrophobicContact CB-CZ 4.4Å; L44-F62 HydrophobicContact CD1-CB 3.63Å; L44-F62 HydrophobicContact CD1-CD1 3.93Å; L44-F62 HydrophobicContact CD1-CD2 3.95Å; L44-F62 HydrophobicContact CD1-CG 3.56Å
45T92.9Very high92Very high98 Ų9874.9 Ų74.960%0.60141%0.408SS*.Hα-helixtrans-68-43.1176.5-56.90000111.1F41 Q42 R48 G49F41-T45 VanDerWaalsContact O-CB 3.31Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 PolarHBondContact O-N 3.38Å; F41-T45 PolarHBondContact O-OG1 3.36Å; Q42-T45 PolarHBondContact O-N 3.5Å; T45-R48 WeakPolarHBondContact O-CB 3.18Å; T45-R48 PolarHBondContact O-N 2.82Å; T45-G49 PolarHBondContact O-N 2.81Å
46M92.4Very high91.9Very high131 Ų13172.9 Ų72.965%0.64540%0.397SS*.Hα-helixtrans-63.5-40.4174.2-169.4-176.7-60.400112Q42 E43 G49Q42-M46 WeakPolarHBondContact O-CB 3.44Å; Q42-M46 PolarHBondContact O-N 3Å; E43-M46 PolarHBondContact O-N 3.13Å; M46-G49 PolarHBondContact O-N 2.95Å
47Y92.5Very high91.8Very high71 Ų7174.6 Ų74.628%0.27841%0.408SS..Hα-helixtrans-67.8-34.5176.1178.8-103.2000112.7E43 L44 L58 Q61 F62 I65E43-Y47 WeakPolarHBondContact O-CB 3.29Å; E43-Y47 PolarHBondContact O-N 2.89Å; L44-Y47 PolarHBondContact O-N 3.42Å; Y47-L58 HydrophobicContact CD1-CD1 3.77Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; Y47-Q61 HydrophobicContact CE1-CB 4.17Å; Y47-Q61 WeakPolarHBondContact OH-CB 3.34Å; Y47-F62 HydrophobicContact CD1-CB 3.87Å; Y47-F62 AromaticContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CG 4.33Å; Y47-F62 HydrophobicContact CE1-CB 4.11Å; Y47-F62 AromaticContact CG-CD2 3.73Å; Y47-F62 HydrophobicContact CG-CD2 3.73Å; Y47-I65 HydrophobicContact CE2-CD1 4.34Å; Y47-I65 WeakPolarHBondContact OH-CD1 3.39Å
48R92.9Very high91.7Very high128 Ų12874.1 Ų74.148%0.48340%0.403SS..Hα-helixtrans-62.2-47.9171.1-172-176.4178.9-164.60.5111L44 T45 N50 T51 L58L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.29Å; T45-R48 WeakPolarHBondContact O-CB 3.18Å; T45-R48 PolarHBondContact O-N 2.82Å; R48-N50 PolarHBondContact O-N 3.32Å; R48-T51 WeakPolarHBondContact O-CB 3.44Å; R48-T51 WeakPolarHBondContact O-CG2 3.3Å; R48-T51 PolarHBondContact O-N 3.34Å; R48-T51 PolarHBondContact O-OG1 2.98Å; R48-L58 HydrophobicContact CB-CD1 3.84Å; R48-L58 HydrophobicContact CB-CD2 3.89Å; R48-L58 HydrophobicContact CG-CD1 4.12Å; R48-L58 HydrophobicContact CG-CD2 3.84Å
49G85.5Confident91.6Very high57 Ų5771.4 Ų71.459%0.58838%0.38SS*.THydrogen-bonded Turntrans50.9-123-176.700000111.8T45 M46T45-G49 PolarHBondContact O-N 2.81Å; M46-G49 PolarHBondContact O-N 2.95Å
50N74.8Confident91.6Very high162 Ų16275.5 Ų75.587%0.86639%0.39SS*.THydrogen-bonded Turntrans-95.211.9175.667.3-17.4000114.3R48R48-N50 PolarHBondContact O-N 3.32Å
51T81.8Confident91.4Very high56 Ų5678.5 Ų78.534%0.34440%0.404SS..  trans-74.3134.8-177.664.90000112.6R48 M53R48-T51 WeakPolarHBondContact O-CB 3.44Å; R48-T51 WeakPolarHBondContact O-CG2 3.3Å; R48-T51 PolarHBondContact O-N 3.34Å; R48-T51 PolarHBondContact O-OG1 2.98Å; T51-M53 PolarHBondContact O-N 3.03Å
52T86.9Confident91.4Very high145 Ų14575.1 Ų75.189%0.8939%0.389SS*.  trans-82.221.2173.549.80000112.9
53M90.9Very high91.2Very high71 Ų7170.5 Ų70.535%0.3537%0.367SS..  trans-64.1137.8-177.5-164.864.259.100111.1T51 D57 L58 Q61T51-M53 PolarHBondContact O-N 3.03Å; M53-D57 HydrophobicContact CG-CB 4.1Å; M53-D57 HydrophobicContact SD-CB 3.81Å; M53-L58 HydrophobicContact CB-CB 4.27Å; M53-L58 HydrophobicContact CG-CB 4.01Å; M53-Q61 PolarHBondContact SD-NE2 3.19Å
54D92.7Very high91.1Very high58 Ų5874.8 Ų74.831%0.3139%0.387SS..  trans-60.3143169.8-179.785000110.1Y12 K56 D57 L58Y12-D54 VanDerWaalsContact CE1-OD1 3.23Å; Y12-D54 WeakPolarHBondContact CE1-OD1 3.43Å; Y12-D54 PolarHBondContact OH-OD1 2.92Å; Y12-D54 PolarHBondContact OH-OD2 3.31Å; D54-K56 PolarHBondContact O-N 2.99Å; D54-K56 VanDerWaalsContact O-N 3.07Å; D54-K56 WeakPolarHBondContact OD2-CB 3.25Å; D54-K56 WeakPolarHBondContact OD2-CD 3.21Å; D54-K56 WeakPolarHBondContact OD2-CG 3.38Å; D54-K56 PolarHBondContact OD2-N 2.82Å; D54-D57 PolarHBondContact O-N 3.33Å; D54-D57 VanDerWaalsContact O-N 3.1Å; D54-L58 WeakPolarHBondContact O-CB 3.49Å; D54-L58 PolarHBondContact O-N 3.49Å
55I93.5Very high90.8Very high39 Ų3978.1 Ų78.120%0.240%0.404CS..Hα-helixtrans-51.8-32.9-179.1-173.257.2000113.5Y12 G13 L58 V59Y12-I55 HydrophobicContact CD1-CG2 3.98Å; Y12-I55 HydrophobicContact CE1-CG2 3.53Å; G13-I55 VanDerWaalsContact CA-CG2 3.47Å; I55-L58 HydrophobicContact CD1-CD2 4.25Å; I55-V59 HydrophobicContact CD1-CG2 4.1Å; I55-V59 WeakPolarHBondContact O-CB 3.32Å; I55-V59 VanDerWaalsContact O-CG2 3.25Å; I55-V59 WeakPolarHBondContact O-CG2 3.21Å; I55-V59 PolarHBondContact O-N 3.01Å
56K93.3Very high90.5Very high98 Ų9876 Ų7643%0.42639%0.387SS..Hα-helixtrans-70.8-48.7178.4-60.9158.8-176.8153.50111.7Y12 T16 D54 L58 K60Y12-K56 WeakPolarHBondContact OH-CE 3.49Å; Y12-K56 PolarHBondContact OH-NZ 3.32Å; T16-K56 HydrophobicContact CG2-CB 4.33Å; T16-K56 HydrophobicContact CG2-CG 4.11Å; D54-K56 PolarHBondContact O-N 2.99Å; D54-K56 VanDerWaalsContact O-N 3.07Å; D54-K56 WeakPolarHBondContact OD2-CB 3.25Å; D54-K56 WeakPolarHBondContact OD2-CD 3.21Å; D54-K56 WeakPolarHBondContact OD2-CG 3.38Å; D54-K56 PolarHBondContact OD2-N 2.82Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-K60 WeakPolarHBondContact O-CB 3.5Å; K56-K60 PolarHBondContact O-N 2.92Å
57D94.6Very high90.1Very high66 Ų6669.9 Ų69.935%0.35336%0.357SS..Hα-helixtrans-75-26.2179.3-75.8-55.6000112.3M53 D54 K60 Q61M53-D57 HydrophobicContact CG-CB 4.1Å; M53-D57 HydrophobicContact SD-CB 3.81Å; D54-D57 PolarHBondContact O-N 3.33Å; D54-D57 VanDerWaalsContact O-N 3.1Å; D57-K60 IonicContact OD1-NZ 3.27Å; D57-K60 PolarHBondContact OD1-NZ 3.47Å; D57-Q61 WeakPolarHBondContact O-CB 3.19Å; D57-Q61 WeakPolarHBondContact O-CG 3.1Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 PolarHBondContact O-NE2 3.11Å; D57-Q61 VanDerWaalsContact O-NE2 3.1Å
58L95Very high89.6Confident6 Ų671 Ų713%0.03136%0.364CS..Hα-helixtrans-63.3-55.7168.6177.368.3000111L44 Y47 R48 M53 D54 I55 K56 K60 Q61 F62L44-L58 HydrophobicContact CD1-CD2 4.39Å; L44-L58 HydrophobicContact CD1-CG 4.08Å; Y47-L58 HydrophobicContact CD1-CD1 3.77Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; R48-L58 HydrophobicContact CB-CD1 3.84Å; R48-L58 HydrophobicContact CB-CD2 3.89Å; R48-L58 HydrophobicContact CG-CD1 4.12Å; R48-L58 HydrophobicContact CG-CD2 3.84Å; M53-L58 HydrophobicContact CB-CB 4.27Å; M53-L58 HydrophobicContact CG-CB 4.01Å; D54-L58 WeakPolarHBondContact O-CB 3.49Å; D54-L58 PolarHBondContact O-N 3.49Å; I55-L58 HydrophobicContact CD1-CD2 4.25Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 3.34Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 2.93Å
59V94.6Very high89.1Confident6 Ų670.7 Ų70.74%0.03637%0.367CS..Hα-helixtrans-61.2-40.4179.3168.60000111T16 L17 L44 I55 F62 H63T16-V59 HydrophobicContact CG2-CB 4.32Å; T16-V59 HydrophobicContact CG2-CG1 4.34Å; L17-V59 HydrophobicContact CD1-CG2 4.37Å; L44-V59 HydrophobicContact CD1-CG2 4.38Å; L44-V59 HydrophobicContact CD2-CG2 4.19Å; I55-V59 HydrophobicContact CD1-CG2 4.1Å; I55-V59 WeakPolarHBondContact O-CB 3.32Å; I55-V59 VanDerWaalsContact O-CG2 3.25Å; I55-V59 WeakPolarHBondContact O-CG2 3.21Å; I55-V59 PolarHBondContact O-N 3.01Å; V59-F62 PolarHBondContact O-N 3.48Å; V59-H63 PolarHBondContact O-N 3.29Å; V59-H63 PolarHBondContact O-ND1 2.95Å
60K93.7Very high89Confident129 Ų12971.8 Ų71.856%0.56135%0.353SS*.Hα-helixtrans-62.9-47177.3176.8-178.6162.8-160.10113K56 D57 L58 H63 Q64K56-K60 WeakPolarHBondContact O-CB 3.5Å; K56-K60 PolarHBondContact O-N 2.92Å; D57-K60 IonicContact OD1-NZ 3.27Å; D57-K60 PolarHBondContact OD1-NZ 3.47Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.13Å; K60-H63 PolarHBondContact O-N 3.45Å; K60-Q64 PolarHBondContact O-N 2.88Å; K60-Q64 VanDerWaalsContact O-N 3.13Å
61Q92.9Very high88.6Confident63 Ų6366.5 Ų66.529%0.29433%0.329SS..Hα-helixtrans-69.2-39.4176.5-74.2174.189.500112Y47 M53 D57 L58 H63 Q64 I65Y47-Q61 HydrophobicContact CE1-CB 4.17Å; Y47-Q61 WeakPolarHBondContact OH-CB 3.34Å; M53-Q61 PolarHBondContact SD-NE2 3.19Å; D57-Q61 WeakPolarHBondContact O-CB 3.19Å; D57-Q61 WeakPolarHBondContact O-CG 3.1Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 PolarHBondContact O-NE2 3.11Å; D57-Q61 VanDerWaalsContact O-NE2 3.1Å; L58-Q61 PolarHBondContact O-N 3.34Å; Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 3.35Å; Q61-Q64 PolarHBondContact O-N 3.36Å; Q61-I65 WeakPolarHBondContact O-CB 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.44Å; Q61-I65 PolarHBondContact O-N 3.1Å
62F94.1Very high87.8Confident0 Ų069.6 Ų69.60%034%0.339CS..Hα-helixtrans-57.9-41.9173.7-177.1-98.1000111.7Y40 E43 L44 Y47 L58 V59 I65 K66 V67 W70Y40-F62 AromaticContact CD2-CE1 3.73Å; Y40-F62 HydrophobicContact CD2-CE1 3.73Å; Y40-F62 AromaticContact CE2-CD1 3.91Å; Y40-F62 HydrophobicContact CE2-CD1 3.91Å; Y40-F62 AromaticContact CE2-CE1 3.53Å; Y40-F62 HydrophobicContact CE2-CE1 3.53Å; E43-F62 VanDerWaalsContact C-CE2 3.5Å; E43-F62 HydrophobicContact CB-CE2 3.94Å; E43-F62 HydrophobicContact CB-CZ 3.79Å; E43-F62 WeakPolarHBondContact O-CE2 3.35Å; L44-F62 HydrophobicContact CB-CE2 4.37Å; L44-F62 HydrophobicContact CB-CZ 4.4Å; L44-F62 HydrophobicContact CD1-CB 3.63Å; L44-F62 HydrophobicContact CD1-CD1 3.93Å; L44-F62 HydrophobicContact CD1-CD2 3.95Å; L44-F62 HydrophobicContact CD1-CG 3.56Å; Y47-F62 HydrophobicContact CD1-CB 3.87Å; Y47-F62 AromaticContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CG 4.33Å; Y47-F62 HydrophobicContact CE1-CB 4.11Å; Y47-F62 AromaticContact CG-CD2 3.73Å; Y47-F62 HydrophobicContact CG-CD2 3.73Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 2.93Å; V59-F62 PolarHBondContact O-N 3.48Å; F62-I65 PolarHBondContact O-N 3.46Å; F62-K66 HydrophobicContact CD2-CB 3.98Å; F62-K66 HydrophobicContact CD2-CG 3.86Å; F62-K66 HydrophobicContact CE1-CB 4.34Å; F62-K66 HydrophobicContact CE2-CB 3.73Å; F62-K66 HydrophobicContact CE2-CD 4.46Å; F62-K66 HydrophobicContact CE2-CG 3.73Å; F62-K66 HydrophobicContact CG-CB 4.41Å; F62-K66 HydrophobicContact CZ-CB 3.93Å; F62-K66 HydrophobicContact CZ-CG 4.42Å; F62-K66 WeakPolarHBondContact O-CA 3.32Å; F62-K66 WeakPolarHBondContact O-CB 3.49Å; F62-K66 PolarHBondContact O-N 2.83Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CE1-CG2 3.73Å; F62-V67 PolarHBondContact O-N 2.66Å; F62-W70 HydrophobicContact CE1-CH2 4.48Å; F62-W70 HydrophobicContact CZ-CH2 4.24Å; F62-W70 HydrophobicContact CZ-CZ2 4.39Å
63H92.5Very high86.2Confident35 Ų3565.6 Ų65.616%0.16233%0.327CS..Iπ-helixtrans-61.2-49.9173.9-84.676.3000112.5G20 Y40 V59 K60 Q61 I65 V67 E68G20-H63 WeakPolarHBondContact CA-CE1 3.28Å; G20-H63 PolarHBondContact O-CE1 3.08Å; G20-H63 PolarHBondContact O-NE2 3.04Å; Y40-H63 PolarHBondContact OH-CE1 2.75Å; Y40-H63 VanDerWaalsContact OH-CE1 3.32Å; V59-H63 PolarHBondContact O-N 3.29Å; V59-H63 PolarHBondContact O-ND1 2.95Å; K60-H63 PolarHBondContact O-N 3.45Å; Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 3.35Å; H63-I65 VanDerWaalsContact C-N 3.26Å; H63-I65 PolarHBondContact O-N 3.22Å; H63-V67 PolarHBondContact O-N 3.5Å; H63-E68 PolarHBondContact O-N 3.19Å
64Q90.3Very high83.5Confident142 Ų14268.5 Ų68.566%0.66435%0.349SS*.Iπ-helixtrans-62.7-30.2-177.5-171174.612.500113.4K60 Q61 E68K60-Q64 PolarHBondContact O-N 2.88Å; K60-Q64 VanDerWaalsContact O-N 3.13Å; Q61-Q64 PolarHBondContact O-N 3.36Å; Q64-E68 WeakPolarHBondContact O-CB 3.46Å
65I88Confident80.6Confident79 Ų7971.3 Ų71.341%0.40537%0.368SS..Iπ-helixtrans-104-40.7-172.6-63.4166.3000112.6Y47 Q61 F62 H63 K69Y47-I65 HydrophobicContact CE2-CD1 4.34Å; Y47-I65 WeakPolarHBondContact OH-CD1 3.39Å; Q61-I65 WeakPolarHBondContact O-CB 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.44Å; Q61-I65 PolarHBondContact O-N 3.1Å; F62-I65 PolarHBondContact O-N 3.46Å; H63-I65 VanDerWaalsContact C-N 3.26Å; H63-I65 PolarHBondContact O-N 3.22Å; I65-K69 WeakPolarHBondContact O-CG 3.4Å
66K87.9Confident77.8Confident54 Ų5475.8 Ų75.824%0.23540%0.399CS..Iπ-helixtrans-104.9-55-171.9-63.8-90.5-87.3-1750111.9E43 F62 E68 K69 W70E43-K66 WeakPolarHBondContact OE1-CE 3.45Å; E43-K66 IonicContact OE1-NZ 3.06Å; E43-K66 PolarHBondContact OE1-NZ 3.49Å; E43-K66 WeakPolarHBondContact OE2-CE 3.23Å; E43-K66 IonicContact OE2-NZ 2.7Å; E43-K66 PolarHBondContact OE2-NZ 2.66Å; F62-K66 HydrophobicContact CD2-CB 3.98Å; F62-K66 HydrophobicContact CD2-CG 3.86Å; F62-K66 HydrophobicContact CE1-CB 4.34Å; F62-K66 HydrophobicContact CE2-CB 3.73Å; F62-K66 HydrophobicContact CE2-CD 4.46Å; F62-K66 HydrophobicContact CE2-CG 3.73Å; F62-K66 HydrophobicContact CG-CB 4.41Å; F62-K66 HydrophobicContact CZ-CB 3.93Å; F62-K66 HydrophobicContact CZ-CG 4.42Å; F62-K66 WeakPolarHBondContact O-CA 3.32Å; F62-K66 WeakPolarHBondContact O-CB 3.49Å; F62-K66 PolarHBondContact O-N 2.83Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.39Å; K66-K69 WeakPolarHBondContact O-CA 3.49Å; K66-K69 PolarHBondContact O-N 2.86Å; K66-W70 PolarHBondContact O-N 2.83Å
67V84.5Confident75.4Confident2 Ų278 Ų781%0.01241%0.411CS..Iπ-helixtrans-64.8-34.5-178.8-174.20000111.4A24 Y40 F62 H63 K69 W70A24-V67 HydrophobicContact CB-CG1 3.8Å; A24-V67 HydrophobicContact CB-CG2 4.17Å; Y40-V67 HydrophobicContact CE2-CG2 4.17Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CE1-CG2 3.73Å; F62-V67 PolarHBondContact O-N 2.66Å; H63-V67 PolarHBondContact O-N 3.5Å; V67-K69 PolarHBondContact O-N 2.93Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CZ3 4.44Å; V67-W70 PolarHBondContact O-N 2.91Å; V67-W70 VanDerWaalsContact O-N 3.1Å
68E80.8Confident72.6Confident95 Ų9583.3 Ų83.344%0.44443%0.431SS..Hα-helixtrans-57.9-35.9172.7-161.356-130.400112.5K27 H63 Q64 K66 S71K27-E68 IonicContact NZ-OE1 2.77Å; K27-E68 PolarHBondContact NZ-OE1 3.01Å; K27-E68 IonicContact NZ-OE2 2.61Å; K27-E68 PolarHBondContact NZ-OE2 3.12Å; H63-E68 PolarHBondContact O-N 3.19Å; Q64-E68 WeakPolarHBondContact O-CB 3.46Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.39Å; E68-S71 PolarHBondContact O-OG 2.82Å
69K82.8Confident69.6Low121 Ų12190.2 Ų90.253%0.52646%0.461SS..Hα-helixtrans-83.8-7.7178.7-61.6-68.4146.4-169.10114I65 K66 V67 E72I65-K69 WeakPolarHBondContact O-CG 3.4Å; K66-K69 WeakPolarHBondContact O-CA 3.49Å; K66-K69 PolarHBondContact O-N 2.86Å; V67-K69 PolarHBondContact O-N 2.93Å; K69-E72 IonicContact NZ-OE2 2.66Å; K69-E72 PolarHBondContact NZ-OE2 3.43Å
70W82.8Confident67.3Low80 Ų8098.4 Ų98.430%0.30350%0.504SS..Hα-helixtrans-83.7-31.2172.9-65.6-10.2000112.5T28 F36 Y40 E43 F62 K66 V67T28-W70 HydrophobicContact CG2-CB 3.66Å; T28-W70 HydrophobicContact CG2-CE3 4.16Å; F36-W70 HydrophobicContact CE1-CZ3 4.41Å; F36-W70 AromaticContact CE2-CE3 3.65Å; F36-W70 HydrophobicContact CE2-CE3 3.65Å; F36-W70 AromaticContact CE2-CZ3 3.56Å; F36-W70 HydrophobicContact CE2-CZ3 3.56Å; F36-W70 AromaticContact CZ-CE3 3.7Å; F36-W70 HydrophobicContact CZ-CE3 3.7Å; F36-W70 AromaticContact CZ-CZ3 3.5Å; F36-W70 HydrophobicContact CZ-CZ3 3.5Å; F36-W70 VanDerWaalsContact CZ-CZ3 3.5Å; Y40-W70 HydrophobicContact CD2-CH2 4.29Å; Y40-W70 HydrophobicContact CD2-CZ3 4Å; E43-W70 HydrophobicContact CB-CZ2 4.42Å; E43-W70 HydrophobicContact CG-CZ2 4.36Å; F62-W70 HydrophobicContact CE1-CH2 4.48Å; F62-W70 HydrophobicContact CZ-CH2 4.24Å; F62-W70 HydrophobicContact CZ-CZ2 4.39Å; K66-W70 PolarHBondContact O-N 2.83Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CZ3 4.44Å; V67-W70 PolarHBondContact O-N 2.91Å; V67-W70 VanDerWaalsContact O-N 3.1Å
71S67.9Low64.5Low51 Ų5198.3 Ų98.336%0.35751%0.505SS..Hα-helixtrans-75.1-22.6170.642.80000113.7K27 E68 G73K27-S71 VanDerWaalsContact CE-OG 3.32Å; K27-S71 WeakPolarHBondContact CE-OG 3.31Å; K27-S71 PolarHBondContact NZ-OG 3.47Å; E68-S71 PolarHBondContact O-OG 2.82Å; S71-G73 PolarHBondContact O-N 3.25Å
72E64.4Low61.6Low122 Ų122100 Ų10057%0.5752%0.523SS*.SBendtrans-90.476.2179.2-166.8174.6-147.400110.5K69K69-E72 IonicContact NZ-OE2 2.66Å; K69-E72 PolarHBondContact NZ-OE2 3.43Å
73G52.1Low59Low60 Ų60107.7 Ų107.762%0.61956%0.564SS**  trans-60.9143.5-174.800000114.2S71S71-G73 PolarHBondContact O-N 3.25Å
74T35.2Very low56.5Low133 Ų133115.6 Ų115.682%0.81660%0.597SS**SBendtrans84.169.5169.3-38.80000117
75T30.7Very low54Low116 Ų116115.7 Ų115.771%0.71260%0.598SS**  170.4140.1109.634.20000113Q77T75-Q77 PolarHBondContact O-N 2.82Å
76P36.5Very low51.7Low133 Ų133118.3 Ų118.386%0.86462%0.62SS**  trans-85.287.3169.133.9-32.3000111
77Q41.3Very low49.2Very low144 Ų144118 Ų11867%0.67363%0.631SS**  trans-134.9136.1170.7-81.4-142.720.500115.9T75T75-Q77 PolarHBondContact O-N 2.82Å
78K36.1Very low46.9Very low178 Ų178126.3 Ų126.377%0.77467%0.668SS**  trans61.790.9154.1-77.7171.11761590118.8L80K78-L80 PolarHBondContact O-N 2.94Å
79K33Very low44.9Very low151 Ų151128.9 Ų128.966%0.65769%0.69SS**  55.667.9117.9-155-162.6-167.3-153.90115.7E81K79-E81 HydrophobicContact CD-CB 4.32Å; K79-E81 VanDerWaalsContact CE-CD 3.41Å; K79-E81 WeakPolarHBondContact CE-OE1 3.29Å; K79-E81 WeakPolarHBondContact CE-OE2 3.35Å; K79-E81 HydrophobicContact CG-CB 4.04Å; K79-E81 IonicContact NZ-OE1 3.52Å; K79-E81 PolarHBondContact NZ-OE1 3.21Å; K79-E81 IonicContact NZ-OE2 3.76Å; K79-E81 PolarHBondContact NZ-OE2 2.88Å; K79-E81 PolarHBondContact O-N 3.35Å
80L44.7Very low42.6Very low178 Ų178128.2 Ų128.293%0.93270%0.701SS**  trans-7877.2161.1-130.3169.6000109.4K78K78-L80 PolarHBondContact O-N 2.94Å
81E35.2Very low40.6Very low127 Ų127131.3 Ų131.359%0.59373%0.728SS**  trans-83.6130.1179.8170.1177.5-113.700111.2K79K79-E81 HydrophobicContact CD-CB 4.32Å; K79-E81 VanDerWaalsContact CE-CD 3.41Å; K79-E81 WeakPolarHBondContact CE-OE1 3.29Å; K79-E81 WeakPolarHBondContact CE-OE2 3.35Å; K79-E81 HydrophobicContact CG-CB 4.04Å; K79-E81 IonicContact NZ-OE1 3.52Å; K79-E81 PolarHBondContact NZ-OE1 3.21Å; K79-E81 IonicContact NZ-OE2 3.76Å; K79-E81 PolarHBondContact NZ-OE2 2.88Å; K79-E81 PolarHBondContact O-N 3.35Å
82C33.7Very low39.4Very low100 Ų100136.5 Ų136.568%0.67675%0.747SS**  trans43.196155.1-152.20000118.3K84C82-K84 PolarHBondContact O-N 3.02Å
83L37.6Very low38.4Very low161 Ų161136.2 Ų136.284%0.84376%0.758SS**  2997.7117.7-151.7177.7000115.3
84K40Very low38.3Very low201 Ų201142.2 Ų142.287%0.87477%0.767SS**  trans-139.4131.3166.2-129.4174.2-174.7178.70113C82C82-K84 PolarHBondContact O-N 3.02Å
85E38Very low38.5Very low144 Ų144141.9 Ų141.967%0.67377%0.765SS**  trans-57.7140-179.4-176.7-161.8165.100112.7G87E85-G87 PolarHBondContact O-N 3.47Å
86P39.6Very low39.5Very low134 Ų134142.1 Ų142.187%0.8777%0.768SS**  trans-7569.9171.932.1-34.9000112K88P86-K88 PolarHBondContact O-N 3.47Å
87G36Very low39.9Very low46 Ų46141.3 Ų141.347%0.47476%0.761SS.*  trans-84.280.3-172.400000116.5E85E85-G87 PolarHBondContact O-N 3.47Å
88K37.5Very low40.5Very low178 Ų178142.6 Ų142.677%0.77477%0.767SS**  trans40.185.1139.755.8-175167-161.60120.1P86P86-K88 PolarHBondContact O-N 3.47Å
89T37Very low41.2Very low148 Ų148141.3 Ų141.391%0.90877%0.766SS**  trans-158.8132.4133.418.80000114.1
90S34.7Very low42.4Very low108 Ų108141.9 Ų141.976%0.75577%0.771SS**  trans-64.2150.7173178.40000114.6
91V41.7Very low43Very low145 Ų145142.7 Ų142.788%0.87977%0.767SS**  -163.6149.6119.61420000110.9
92E42.7Very low44.1Very low159 Ų159141.7 Ų141.774%0.74377%0.774SS**  trans-93.8145.7-169.5174.9-164.215600114
93S42.8Very low45.4Very low116 Ų116142.7 Ų142.781%0.81178%0.777SS**  trans-167.4117144.751.90000116.4
94K51Low46.4Very low186 Ų186142 Ų14281%0.80977%0.774SS**  trans3143.5156.2-64.8-179175.8179.10123.8
95V37.7Very low47.8Very low126 Ų126139 Ų13976%0.76477%0.773SS**  trans-82.2146.7155.1172.10000111.9
96P51.9Low49Very low121 Ų121139 Ų13979%0.78678%0.777SS**  trans-123.8178.5151.222-1.3000113.5
97T45.8Very low50Low117 Ų117140.8 Ų140.872%0.71877%0.774SS**  trans-141.4160.4-163.2-62.30000111.5
98Q53.2Low51.3Low171 Ų171145.3 Ų145.380%0.79979%0.788SS**  trans69.7157.2-180-74.3163.410.300115
99M51.3Low52.1Low151 Ų151143.7 Ų143.774%0.74479%0.787SS**  cis-149.9-171.60.6-133.8161.676.700113.7
100E58.6Low53.2Low162 Ų162142.5 Ų142.576%0.75778%0.779SS**  trans-63.5136-162.3-62.1158.4111.200120.8
101K57.5Low54.2Low195 Ų195143 Ų14385%0.84878%0.779SS**  trans16.8121.5133.5-173.3-174.9179.1-176.50121.7
102S57.8Low54.5Low107 Ų107145.1 Ų145.175%0.74877%0.77SS**  trans-161.6129.1140.7-810000109.2
103T60.6Low55Low120 Ų120144.2 Ų144.274%0.73678%0.776SS**  63.694.695.2-40.20000111.8
104D58Low55.6Low147 Ų147144.7 Ų144.779%0.78677%0.765SS**  71.6108.574.2-175.834.7000114.2
105T70.3Confident55.6Low139 Ų139146.4 Ų146.485%0.85377%0.769SS**  trans-170.7146.7161.9-66.70000108.5
106D63.2Low56.4Low143 Ų143145.5 Ų145.577%0.76577%0.767SS**  trans-104.6-178-178.6-168.413000111.9
107E60.5Low56.2Low171 Ų171147.3 Ų147.380%0.79977%0.771SS**  trans72.2112.2166.1-50.7-170.6121.600118.8
108D62.9Low57.2Low142 Ų142151.1 Ų151.176%0.75978%0.777SS**  -172158.5106.7-167.219.6000111.4
109N54.2Low57.2Low143 Ų143149 Ų14977%0.76578%0.776SS**  trans-135105.8-169.7-58.7-97.9000112.9
110V61.6Low57.7Low123 Ų123147.7 Ų147.775%0.74578%0.777SS**  trans-144.9121.5170-92.90000116.7
111T54.6Low57.9Low120 Ų120148.4 Ų148.474%0.73678%0.78SS**  trans66.784.1134-46.20000120.6
112R47.7Very low57.2Low188 Ų188148.7 Ų148.771%0.70978%0.782SS**  28.1123.3116.6-171.2-176-169.5171.70.9118.5E114R112-E114 HydrophobicContact CG-CG 4.21Å; R112-E114 IonicContact CZ-OE1 3.13Å; R112-E114 IonicContact NE-OE1 2.81Å; R112-E114 PolarHBondContact NE-OE1 2.8Å; R112-E114 IonicContact NH2-OE1 2.65Å; R112-E114 PolarHBondContact NH2-OE1 3.27Å
113T52.8Low57.4Low140 Ų140149.4 Ų149.486%0.85978%0.784SS**  trans-141.7139.7144-69.40000108.5
114E55.6Low57Low126 Ų126149.2 Ų149.259%0.58979%0.788SS**  trans-109.1152.6-170.4-58.3170157.800110.9R112R112-E114 HydrophobicContact CG-CG 4.21Å; R112-E114 IonicContact CZ-OE1 3.13Å; R112-E114 IonicContact NE-OE1 2.81Å; R112-E114 PolarHBondContact NE-OE1 2.8Å; R112-E114 IonicContact NH2-OE1 2.65Å; R112-E114 PolarHBondContact NH2-OE1 3.27Å
115Y51.9Low57Low223 Ų223148.7 Ų148.788%0.87579%0.79SS**  trans-155.2112.5156.4-124.1-80.8000115
116S54.7Low55.8Low106 Ų106153.2 Ų153.274%0.74179%0.793SS**  trans56.3106.7154.3-62.70000122.7
117D47Very low55Low159 Ų159151 Ų15185%0.8579%0.794SS**  trans-68.6157.3151.3-79.9-64.2000114.2
118K67.5Low54Low197 Ų197149.3 Ų149.386%0.85780%0.795SS**  trans-171.9100.4135.747.4-173.2175.8-177.90115
119T53.8Low53.1Low127 Ų127148.4 Ų148.478%0.77980%0.797SS**  trans35.3121.8133.7-51.50000120.6
120T61.6Low52.4Low124 Ų124144.8 Ų144.876%0.76179%0.794SS**  -165.2109.4116.7-71.20000112.5
121Q61.6Low51.3Low177 Ų177145.1 Ų145.183%0.82780%0.796SS**  trans37.7116.1142.8-162.4168.273.900121.8
122F43.2Very low50.6Low200 Ų200147 Ų14788%0.87780%0.797SS**  trans-118.2168149.2-74.3-82.7000109.4
123P61.7Low50.5Low123 Ų123145.2 Ų145.280%0.79980%0.796SS**  -139.5130.4127.435-22.2000114.1
124S53.1Low49.9Very low116 Ų116143.2 Ų143.281%0.81178%0.784SS**  trans-93.2143.1163.555.40000110.7
125V57.7Low49.3Very low136 Ų136145.9 Ų145.982%0.82480%0.796SS**  trans-101.1110.7176.3-179.40000111
126Y45.7Very low48.7Very low234 Ų234138.9 Ų138.992%0.91879%0.785SS**  trans-150.1126.1158.9-106.5-85.9000107.1
127A45.2Very low48.2Very low96 Ų96140.7 Ų140.779%0.79379%0.791SS**  trans-151.9121.8-177.500000112.9
128V40.6Very low47.9Very low136 Ų136136.8 Ų136.882%0.82479%0.788SS**  trans-163.2148.3-179.3172.70000105.4
129P43Very low46.4Very low122 Ų122130.8 Ų130.879%0.79278%0.782SS**  cis-128.1-174.8-12.238.3-21.2000114.9
130G39.5Very low45.8Very low68 Ų68133.4 Ų133.470%0.70179%0.791SS**  trans93.7158.5148.700000118.1
131T38.7Very low44.6Very low130 Ų130132.4 Ų132.480%0.79879%0.789SS**  cis-161.9164.7-12.7-30.60000109.4
132E40.7Very low43.6Very low160 Ų160129.6 Ų129.675%0.74879%0.789SS**  trans68.1156.8166.5-59.6-167.392.800116.6
133Q44.2Very low43.4Very low150 Ų150129.8 Ų129.870%0.70179%0.789SS**  cis-167.8166.3-17-106.9-15676.800106.2
134T42Very low42.6Very low97 Ų97129.3 Ų129.360%0.59579%0.786SS**  cis-166.3171.4-7.4-111.50000109.5
135E42.2Very low42.1Very low182 Ų182128.6 Ų128.685%0.8579%0.787SS**  trans72.3150.8166.7-95.7-177.3117.100119.2
136A39.8Very low41.1Very low76 Ų76128.7 Ų128.763%0.62879%0.788SS**  cis-148.3152.82.600000113.7
137V43.9Very low41Very low145 Ų145123.8 Ų123.888%0.87979%0.785SS**  trans37131.3146.1-177.30000119.5
138G40.3Very low40.8Very low77 Ų77128.7 Ų128.779%0.79479%0.788SS**  cis147.2163.78.100000109
139G36.5Very low40.8Very low71 Ų71128.9 Ų128.973%0.73279%0.79SS**  cis166.7142.1-10.300000111.5
140L39.8Very low40.7Very low182 Ų182129.3 Ų129.395%0.95379%0.791SS**  trans61.5153.3165.8-55.4176.8000118.3
141S37.6Very low40.9Very low103 Ų103132.2 Ų132.272%0.7280%0.795SS**  cis-170.4173.1-22.9-173.80000109.4
142S41.3Very low41.5Very low118 Ų118131.4 Ų131.483%0.82579%0.792SS**  trans99.3135.3156.9-50.40000121.6
143K37.7Very low41.8Very low203 Ų203129.9 Ų129.988%0.88380%0.796SS**  trans-83.1-173.3166-128.9-178.1174.1177.10109.5
144P45.6Very low41.7Very low113 Ų113128.2 Ų128.273%0.73480%0.801SS**  cis-137.9175.5-11.741.7-25000115.9
145A41.8Very low42.1Very low102 Ų102128.6 Ų128.684%0.84381%0.807SS**  trans178.5154.3134.500000112.2
146T37.9Very low42.8Very low137 Ų137125.3 Ų125.384%0.8480%0.802SS**  trans-109.4157.4167.938.20000111.3
147P42.7Very low43.1Very low131 Ų131126.7 Ų126.785%0.85181%0.805SS**  -131.6175.612037.1-28.9000113.6
148K41.9Very low43.6Very low199 Ų199126.1 Ų126.187%0.86580%0.804SS**  trans-97.8153.1-173.5-52.1169.2-178.1176.20111.5
149T39Very low43.6Very low141 Ų141128 Ų12887%0.86580%0.8SS**  trans-167.5145134-78.50000111.5
150T40.6Very low43.8Very low130 Ų130129.4 Ų129.480%0.79881%0.805SS**  trans-60.9134.2-172.9-54.20000117.7
151T44Very low43.9Very low129 Ų129126.9 Ų126.979%0.79180%0.797SS**  trans-152158142.712.20000109
152P52.4Low44.2Very low113 Ų113125.5 Ų125.573%0.73479%0.787SS**PPolyproline II helixtrans-76.2158.8-167.631.3-35.8000113.5S154P152-S154 PolarHBondContact O-N 3.49Å
153P46.5Very low44.9Very low129 Ų129126.2 Ų126.284%0.83879%0.789SS**PPolyproline II helixtrans-67.8125.6-179.627.9-34.3000111.7
154S41.9Very low45.9Very low115 Ų115123 Ų12380%0.80478%0.777SS**PPolyproline II helixtrans-64.9145.1162-178.60000109.9P152P152-S154 PolarHBondContact O-N 3.49Å
155S49.9Very low46.4Very low104 Ų104126.6 Ų126.673%0.72778%0.781SS**PPolyproline II helixtrans-54.5141.3178.4-50.90000112.1
156P57.5Low47.4Very low113 Ų113125.7 Ų125.773%0.73477%0.774SS**PPolyproline II helixtrans-65.6149.1169.329.7-34.5000110.3
157P45.6Very low48.9Very low106 Ų106128.5 Ų128.569%0.68877%0.771SS**PPolyproline II helixtrans-63.5155.5167.230.4-35000109.9T159P157-T159 PolarHBondContact O-N 3.45Å
158P54.5Low50.5Low132 Ų132127.2 Ų127.286%0.85776%0.76SS**  trans-63.4108.3176.426.4-33.4000110A160P158-A160 PolarHBondContact O-N 3.07Å
159T41.8Very low52.2Low116 Ų116118.4 Ų118.471%0.71272%0.723SS**  trans-56.9134.2172.2-57.80000109.4P157 V161P157-T159 PolarHBondContact O-N 3.45Å; T159-V161 PolarHBondContact O-N 3.11Å
160A40.6Very low54Low102 Ų102116.7 Ų116.784%0.84372%0.724SS**  trans-64.996.2175.600000110.2P158P158-A160 PolarHBondContact O-N 3.07Å
161V41.4Very low56.1Low128 Ų128113.4 Ų113.478%0.77670%0.701SS**  trans-76.8141.6174.1-770000110.7T159T159-V161 PolarHBondContact O-N 3.11Å
162S43.9Very low57.7Low75 Ų75112.3 Ų112.352%0.52470%0.696SS.*  trans-53.7141.9169-172.90000109.9E164S162-E164 PolarHBondContact O-N 3.4Å; S162-E164 PolarHBondContact OG-OE2 2.87Å
163P56.6Low59Low132 Ų132110 Ų11086%0.85769%0.687SS**THydrogen-bonded Turntrans-74.738.9-177.733.6-38.1000113.5
164E58.2Low60.6Low137 Ų137109.1 Ų109.164%0.6467%0.671SS**THydrogen-bonded Turntrans-96.5-17.5-165.9-156.4169.3144.100113.1S162S162-E164 PolarHBondContact O-N 3.4Å; S162-E164 PolarHBondContact OG-OE2 2.87Å
165F55.6Low62.3Low187 Ų187107.5 Ų107.582%0.8265%0.653SS**  trans-131.261.8-178.1-61.7-76.2000111.8Y167F165-Y167 PolarHBondContact O-N 2.91Å
166A63.9Low63.5Low84 Ų84105.3 Ų105.369%0.69464%0.642SS**  trans-70.2118.4166.600000109.6V168A166-V168 PolarHBondContact O-N 2.89Å
167Y69Low64.4Low196 Ų196103 Ų10377%0.76963%0.631SS**  trans-67.5104177.4-180-93.7000110.5F165F165-Y167 PolarHBondContact O-N 2.91Å
168V76.3Confident65.7Low103 Ų103101.8 Ų101.862%0.62462%0.617SS**  trans-78123.9171.1-177.20000108.2A166 A170 L175A166-V168 PolarHBondContact O-N 2.89Å; V168-A170 PolarHBondContact O-N 2.8Å; V168-L175 HydrophobicContact CG1-CD1 4.49Å
169P77.3Confident66.6Low14 Ų14102.3 Ų102.39%0.09161%0.61CS.*  trans-60.7129.2171.9-20.532.8000110.2D171 Q174P169-D171 PolarHBondContact O-N 3.04Å; P169-D171 VanDerWaalsContact O-N 3.1Å; P169-Q174 HydrophobicContact CB-CB 3.69Å; P169-Q174 HydrophobicContact CG-CB 4.29Å
170A75.9Confident67.8Low106 Ų106103.7 Ų103.788%0.87661%0.612SS**SBendtrans-70.4-0.7177.400000113.9V168V168-A170 PolarHBondContact O-N 2.8Å
171D86.1Confident68.7Low61 Ų61102 Ų10233%0.32661%0.605SS.*SBendtrans-111.2116178.3170.64.6000109P169 A173 Q174 L175P169-D171 PolarHBondContact O-N 3.04Å; P169-D171 VanDerWaalsContact O-N 3.1Å; D171-A173 PolarHBondContact O-N 2.88Å; D171-A173 VanDerWaalsContact OD1-CB 3.3Å; D171-A173 WeakPolarHBondContact OD1-CB 3.32Å; D171-A173 PolarHBondContact OD1-N 2.98Å; D171-Q174 HydrophobicContact CB-CB 4.1Å; D171-Q174 HydrophobicContact CB-CG 4.17Å; D171-Q174 WeakPolarHBondContact O-CB 3.44Å; D171-Q174 PolarHBondContact O-N 3.46Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.42Å; D171-Q174 PolarHBondContact OD2-NE2 2.99Å; D171-L175 PolarHBondContact O-N 2.99Å
172P77.6Confident69.3Low105 Ų105102.6 Ų102.668%0.68260%0.597SS**Hα-helixtrans-56.3-30.8177.3-26.935.7000114.2L175 A176P172-L175 WeakPolarHBondContact O-CB 3.43Å; P172-L175 PolarHBondContact O-N 3.2Å; P172-A176 PolarHBondContact O-N 2.68Å
173A79.4Confident69.5Low65 Ų65105.1 Ų105.154%0.53761%0.609SS.*Hα-helixtrans-69.6-35176.300000111.6D171 A176 A177D171-A173 PolarHBondContact O-N 2.88Å; D171-A173 VanDerWaalsContact OD1-CB 3.3Å; D171-A173 WeakPolarHBondContact OD1-CB 3.32Å; D171-A173 PolarHBondContact OD1-N 2.98Å; A173-A176 PolarHBondContact O-N 2.87Å; A173-A177 VanDerWaalsContact O-CB 3.28Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 3.35Å
174Q79.2Confident68.9Low111 Ų111103.8 Ų103.852%0.51960%0.602SS.*Hα-helixtrans-72.4-32172.6-75.3172.363.600112.5P169 D171 Q178P169-Q174 HydrophobicContact CB-CB 3.69Å; P169-Q174 HydrophobicContact CG-CB 4.29Å; D171-Q174 HydrophobicContact CB-CB 4.1Å; D171-Q174 HydrophobicContact CB-CG 4.17Å; D171-Q174 WeakPolarHBondContact O-CB 3.44Å; D171-Q174 PolarHBondContact O-N 3.46Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.42Å; D171-Q174 PolarHBondContact OD2-NE2 2.99Å; Q174-Q178 VanDerWaalsContact O-CB 3.28Å; Q174-Q178 WeakPolarHBondContact O-CB 3.33Å; Q174-Q178 PolarHBondContact O-N 3.14Å
175L78.8Confident68.1Low81 Ų81103.2 Ų103.242%0.42461%0.613SS.*Hα-helixtrans-62.6-49.4170.1-174.571.2000110.6V168 D171 P172 Q178 M179V168-L175 HydrophobicContact CG1-CD1 4.49Å; D171-L175 PolarHBondContact O-N 2.99Å; P172-L175 WeakPolarHBondContact O-CB 3.43Å; P172-L175 PolarHBondContact O-N 3.2Å; L175-Q178 PolarHBondContact O-N 3.18Å; L175-M179 VanDerWaalsContact O-CG 3.25Å; L175-M179 WeakPolarHBondContact O-CG 3.44Å; L175-M179 PolarHBondContact O-N 3.07Å
176A75.4Confident67.4Low58 Ų58101.7 Ų101.748%0.47961%0.612SS.*Hα-helixtrans-60.7-45.617700000112.1P172 A173 Q178 M179 L180P172-A176 PolarHBondContact O-N 2.68Å; A173-A176 PolarHBondContact O-N 2.87Å; A176-Q178 VanDerWaalsContact C-N 3.32Å; A176-Q178 PolarHBondContact O-N 3.21Å; A176-M179 PolarHBondContact O-N 3.1Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.07Å
177A75.2Confident66.6Low63 Ų63105.2 Ų105.252%0.52161%0.614SS.*Hα-helixtrans-62.8-35.4175.500000112.7A173 G181A173-A177 VanDerWaalsContact O-CB 3.28Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 3.35Å; A177-G181 WeakPolarHBondContact O-CA 3.49Å; A177-G181 PolarHBondContact O-N 3.23Å
178Q73Confident65.4Low81 Ų81102 Ų10238%0.37962%0.62SS.*Hα-helixtrans-73.2-33.7176.2-159.5-164.2123.900112.5Q174 L175 A176 K182Q174-Q178 VanDerWaalsContact O-CB 3.28Å; Q174-Q178 WeakPolarHBondContact O-CB 3.33Å; Q174-Q178 PolarHBondContact O-N 3.14Å; L175-Q178 PolarHBondContact O-N 3.18Å; A176-Q178 VanDerWaalsContact C-N 3.32Å; A176-Q178 PolarHBondContact O-N 3.21Å; Q178-K182 HydrophobicContact CG-CD 4.41Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å
179M72.9Confident64.1Low144 Ų144102.8 Ų102.871%0.70962%0.621SS**Hα-helixtrans-66-46.2173.5-69.4-101.956.100110.9L175 A176L175-M179 VanDerWaalsContact O-CG 3.25Å; L175-M179 WeakPolarHBondContact O-CG 3.44Å; L175-M179 PolarHBondContact O-N 3.07Å; A176-M179 PolarHBondContact O-N 3.1Å
180L67.5Low62.3Low145 Ų145110 Ų11076%0.75965%0.654SS**Hα-helixtrans-74.4-32.4-179.7-150.272.3000112.8A176 K182 V183A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.07Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.32Å; L180-V183 VanDerWaalsContact O-CG2 3.29Å; L180-V183 WeakPolarHBondContact O-CG2 3.49Å
181G59.7Low60.9Low67 Ų67109.7 Ų109.769%0.69165%0.645SS**THydrogen-bonded Turntrans-79.53-17700000116.2A177A177-G181 WeakPolarHBondContact O-CA 3.49Å; A177-G181 PolarHBondContact O-N 3.23Å
182K53.6Low59Low140 Ų140113.6 Ų113.661%0.60967%0.665SS**THydrogen-bonded Turntrans-105.92.7-176.9-81.5179.7173.6174.50115.5Q178 L180 S184Q178-K182 HydrophobicContact CG-CD 4.41Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.32Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 2.9Å
183V47.9Very low57.7Low128 Ų128114.5 Ų114.578%0.77667%0.669SS**  trans-74.781.5165.3-87.40000110.5L180 S185L180-V183 VanDerWaalsContact O-CG2 3.29Å; L180-V183 WeakPolarHBondContact O-CG2 3.49Å; V183-S185 PolarHBondContact O-N 2.92Å
184S44.4Very low56.7Low104 Ų104118.5 Ų118.573%0.72768%0.68SS**  trans-56.4129.1170.1-69.50000110.6K182 I186K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 2.9Å; S184-I186 PolarHBondContact O-N 3.45Å
185S40.6Very low55.3Low124 Ų124121.8 Ų121.887%0.86770%0.698SS**  trans-65.2115.4-178.3470000112.2V183V183-S185 PolarHBondContact O-N 2.92Å
186I42.3Very low54.3Low156 Ų156123.6 Ų123.680%0.871%0.712SS**  trans-136.3119.7167.3-26179.6000108.9S184S184-I186 PolarHBondContact O-N 3.45Å
187H47.5Very low53.2Low158 Ų158127.5 Ų127.573%0.73173%0.725SS**  trans5978.4175.2-136.7-63.9000116.9D189H187-D189 IonicContact CE1-OD2 3.2Å; H187-D189 PolarHBondContact O-N 3.36Å
188S42.8Very low52.4Low128 Ų128131.1 Ų131.190%0.89574%0.74SS**  trans-72116.8152.8-178.10000108.3
189D49Very low51.1Low120 Ų120130.8 Ų130.864%0.64275%0.751SS**  trans-147.4146.3160.7-147.6-9.7000112.3H187 S191H187-D189 IonicContact CE1-OD2 3.2Å; H187-D189 PolarHBondContact O-N 3.36Å; D189-S191 PolarHBondContact O-N 3.39Å
190Q39.9Very low49.8Very low166 Ų166130.7 Ų130.778%0.77676%0.759SS**  trans-43.3115.5-167.5-175.1168.134.600117
191S45.5Very low48.8Very low99 Ų99129.1 Ų129.169%0.69276%0.76SS**  trans-149.7120.9152.550.40000111.9D189 V193D189-S191 PolarHBondContact O-N 3.39Å; S191-V193 PolarHBondContact O-N 2.6Å; S191-V193 VanDerWaalsContact O-N 3.16Å
192D47.2Very low48.3Very low142 Ų142133.8 Ų133.876%0.75977%0.766SS**  trans-80.492.6-178.3-61.5-69.8000110.8L194D192-L194 PolarHBondContact O-N 2.84Å
193V50.5Low48Very low124 Ų124132.3 Ų132.375%0.75277%0.771SS**  trans-7497.5174.8-1780000109.6S191 M195S191-V193 PolarHBondContact O-N 2.6Å; S191-V193 VanDerWaalsContact O-N 3.16Å; V193-M195 PolarHBondContact O-N 2.73Å
194L56.9Low47.9Very low149 Ų149132 Ų13278%0.7877%0.769SS**  trans-65.1118.1171.2-63.4175.9000109.8D192 V196D192-L194 PolarHBondContact O-N 2.84Å; L194-V196 PolarHBondContact O-N 2.94Å; L194-V196 VanDerWaalsContact O-N 3.07Å
195M51.1Low47.6Very low180 Ų180133.7 Ų133.789%0.88778%0.775SS**  trans-65.7104.9170.6-68.8-68.4-70.700109.3V193V193-M195 PolarHBondContact O-N 2.73Å
196V57.8Low48Very low119 Ų119134.3 Ų134.372%0.72177%0.767SS**  trans-88.4111.7172.1179.30000108.3L194 V198L194-V196 PolarHBondContact O-N 2.94Å; L194-V196 VanDerWaalsContact O-N 3.07Å; V196-V198 HydrophobicContact CG1-CG2 4.39Å
197D51.8Low47.9Very low140 Ų140136.7 Ų136.775%0.74977%0.771SS**  trans-74.7127.2175-169.61.5000110.4A199D197-A199 VanDerWaalsContact OD1-CB 3.27Å; D197-A199 WeakPolarHBondContact OD1-CB 3.12Å
198V59.5Low47.7Very low140 Ų140137.2 Ų137.285%0.84877%0.774SS**  trans-115.155.1-173.8-169.10000109.6V196V196-V198 HydrophobicContact CG1-CG2 4.39Å
199A45.1Very low47.9Very low73 Ų73137 Ų13760%0.60377%0.767SS**  trans-122.413.8-169.100000116.1D197D197-A199 VanDerWaalsContact OD1-CB 3.27Å; D197-A199 WeakPolarHBondContact OD1-CB 3.12Å
200T45.1Very low47.5Very low142 Ų142137.1 Ų137.187%0.87177%0.774SS**  trans-13893.4179.7-40.70000113.7
201S45.6Very low47.5Very low113 Ų113135 Ų13579%0.7978%0.777SS**  trans-155.178.4165.3-167.30000112.2
202M49.1Very low47.4Very low164 Ų164135.9 Ų135.981%0.80878%0.784SS**  trans-95.1124.7163-81.9-74.1105.400109V204M202-V204 PolarHBondContact O-N 2.95Å
203P47.5Very low47.2Very low109 Ų109138.3 Ų138.371%0.70879%0.791SS**  trans-73.899.5178.729.2-33.2000110.5V205P203-V205 PolarHBondContact O-N 3.11Å
204V45.9Very low46.9Very low121 Ų121136.8 Ų136.873%0.73379%0.791SS**  trans-63.3121.3172.8178.80000109.3M202 I206M202-V204 PolarHBondContact O-N 2.95Å; V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 HydrophobicContact CB-CG1 4.49Å; V204-I206 HydrophobicContact CG1-CG1 3.92Å; V204-I206 PolarHBondContact O-N 3.24Å
205V39Very low46.4Very low141 Ų141133.8 Ų133.886%0.85579%0.788SS**  trans-76.584.5179-176.10000109.9P203 K207P203-V205 PolarHBondContact O-N 3.11Å; V205-K207 PolarHBondContact O-N 3.28Å
206I47.8Very low46.1Very low136 Ų136134.3 Ų134.370%0.69779%0.788SS**  trans-82112.3173.8-52.6-179.8000109V204 E208V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 HydrophobicContact CB-CG1 4.49Å; V204-I206 HydrophobicContact CG1-CG1 3.92Å; V204-I206 PolarHBondContact O-N 3.24Å; I206-E208 PolarHBondContact O-N 3.29Å
207K40.5Very low45.4Very low206 Ų206136 Ų13690%0.89679%0.794SS**  trans-88.791.3179.2177.9-170.3173.3-177.90109.9V205V205-K207 PolarHBondContact O-N 3.28Å
208E44.2Very low44.9Very low170 Ų170134.7 Ų134.779%0.79479%0.79SS**  trans-137158.6173.8-148.4160.7-153.200113.9I206I206-E208 PolarHBondContact O-N 3.29Å
209V47.7Very low44Very low124 Ų124136.7 Ų136.775%0.75279%0.792SS**  trans-88.3132.4-157.6176.60000112.2
210P39.5Very low43.5Very low121 Ų121139.3 Ų139.379%0.78680%0.8SS**  trans-81.1133.7172.232.5-32.9000111.9
211S40.6Very low43.1Very low121 Ų121137.4 Ų137.485%0.84680%0.799SS**  trans-121.7139.8163-70.30000108.6
212S42.1Very low42.8Very low118 Ų118136.5 Ų136.583%0.82580%0.799SS**  trans-96.4149.3-172.3-171.10000112.4
213E44.6Very low42.1Very low193 Ų193134.9 Ų134.990%0.90280%0.801SS**  -161.9175.9128.1-157.1138.6106.300111.1
214A42.6Very low41.6Very low93 Ų93138.2 Ų138.277%0.76981%0.811SS**  trans-93.3-173.2-173.700000112.4
215A46.3Very low41.2Very low86 Ų86138.7 Ų138.771%0.71181%0.814SS**  cis-156.6166.112.800000114.1
216E46.4Very low40.7Very low191 Ų191137.9 Ų137.989%0.89381%0.813SS**  trans9.3132.1147.6-57.3174.617800121.3
217D43.3Very low40.1Very low155 Ų155137.7 Ų137.783%0.82982%0.824SS**  -159168.5111.6-157.12.1000111.3
218V40.4Very low39.8Very low111 Ų111131.5 Ų131.567%0.67382%0.819SS**  trans-132.2136.6-169.1171.40000112.1
219M41.1Very low39Very low182 Ų182133.3 Ų133.390%0.89782%0.824SS**  trans-152.6157.3149.6-135.3164.6-76.900114.7
220V34.1Very low38.2Very low128 Ų128133.9 Ų133.978%0.77683%0.828SS**  trans-123.3142.5-165.5174.20000111.1
221A37.7Very low37.7Very low102 Ų102135.6 Ų135.684%0.84383%0.829SS**  trans-139.7149.2163.900000110.8
222A38.7Very low37.1Very low95 Ų95137.7 Ų137.779%0.78583%0.826SS**  trans-108.8163.7-167.500000112.9
223P34.7Very low36.3Very low130 Ų130138.8 Ų138.884%0.84483%0.827SS**  trans-87.1164.2-163.534.8-36.9000115.3
224L37.2Very low35.5Very low178 Ų178137 Ų13793%0.93282%0.819SS**  trans-118.1158.1173.7-164.464.4000111.6
225V36.6Very low34.9Very low132 Ų132139.2 Ų139.280%0.882%0.822SS**  trans-98.7155.4-161.1173.30000114.2
226C28.2Very low34.1Very low123 Ų123139.3 Ų139.383%0.83181%0.814SS**  trans-59.7156-175.8-36.40000116.5
227S36.2Very low33.2Very low133 Ų133136.7 Ų136.793%0.9381%0.806SS**  -169.4135.1123.9-168.30000112.1
228G33.7Very low32.6Very low76 Ų76138.4 Ų138.478%0.78481%0.809SS**  trans153.3134174.400000112.6
229K28.1Very low32.1Very low207 Ų207139.1 Ų139.190%0.981%0.814SS**  trans-106.4137.7175.7-65.2179.7179.31800110.3
230V30.6Very low31.4Very low137 Ų137136.4 Ų136.483%0.8381%0.813SS**  trans168165.5137.1151.10000108.5
231L27.8Very low31.2Very low156 Ų156135.8 Ų135.882%0.81781%0.809SS**  trans-38.1128-175.8-75.964.5000115.3
232E28.2Very low30.8Very low165 Ų165139.2 Ų139.277%0.77181%0.808SS**  -177.3146.4111.8-99.4-173.9168.200110.2
233V26.7Very low30.6Very low142 Ų142140.5 Ų140.586%0.86181%0.805SS**  trans-104.174169.4-176.50000108.2V235V233-V235 PolarHBondContact O-N 3.03Å
234Q27.2Very low30.4Very low155 Ų155140.2 Ų140.272%0.72480%0.797SS**  trans-75.2117.4175.2-162-176.246.900109.3V236Q234-V236 HydrophobicContact CB-CG2 4.47Å; Q234-V236 HydrophobicContact CG-CG2 3.81Å; Q234-V236 PolarHBondContact O-N 3.38Å
235V29.1Very low30.5Very low139 Ų139139.6 Ų139.684%0.84279%0.793SS**  trans-83.9109.5177.6178.50000109.3V233V233-V235 PolarHBondContact O-N 3.03Å
236V29.2Very low30.3Very low88 Ų88135.6 Ų135.653%0.53378%0.779SS.*  trans-135.6155.8179.1-167.80000109.4Q234Q234-V236 HydrophobicContact CB-CG2 4.47Å; Q234-V236 HydrophobicContact CG-CG2 3.81Å; Q234-V236 PolarHBondContact O-N 3.38Å
237N29.3Very low30.7Very low136 Ų136135.4 Ų135.473%0.72778%0.779SS**  trans77.8101.9-175.7-42.9-55.8000111.9
238Q28.7Very low31Very low191 Ų191137.7 Ų137.789%0.89378%0.775SS**  47.3100.664.8-61.5-159.950.500113.2
239T30Very low31.6Very low127 Ų127139.7 Ų139.778%0.77977%0.774SS**  trans-146.9113.5149.9-43.80000108.1V241T239-V241 HydrophobicContact CG2-CG2 3.95Å
240S26.6Very low32.1Very low124 Ų124139.6 Ų139.687%0.86777%0.774SS**  trans-88.4131.8165.445.70000108.7
241V31.6Very low32.8Very low115 Ų115141.3 Ų141.370%0.69777%0.773SS**  trans-133.6115.9170.7-178.10000108.5T239 V243T239-V241 HydrophobicContact CG2-CG2 3.95Å; V241-V243 HydrophobicContact CG1-CG2 4.49Å
242H27.7Very low33.5Very low175 Ų175140.1 Ų140.181%0.8177%0.767SS**  trans-74128.9171.6-177.2-82.4000109.2
243V35.2Very low34.4Very low122 Ų122141.4 Ų141.474%0.73977%0.773SS**  trans-115118.2173.71800000108.8V241V241-V243 HydrophobicContact CG1-CG2 4.49Å
244D30.6Very low35.1Very low124 Ų124139.1 Ų139.166%0.66377%0.769SS**  trans-75.5154.3-177.9178.335.2000112.4G246D244-G246 PolarHBondContact OD1-N 3.38Å
245L39.2Very low35.8Very low164 Ų164140 Ų14086%0.85977%0.774SS**  trans-128.856.9175.1-74.4-179.2000111.8
246G32.6Very low36.1Very low49 Ų49139.1 Ų139.151%0.50577%0.77SS.*  trans-62.3154.1148.100000111.3D244D244-G246 PolarHBondContact OD1-N 3.38Å
247S37.2Very low36.7Very low119 Ų119140.1 Ų140.183%0.83278%0.781SS**  cis-156.2146.41.8-64.60000110.2
248Q41.9Very low37.1Very low181 Ų181139.7 Ų139.785%0.84678%0.784SS**  trans-108.3135.4162.4-86.7-73.62.400109.7
249P45.7Very low37.3Very low118 Ų118135 Ų13577%0.76678%0.777SS**  trans-71.4147.7179.4-16.331.3000112.9
250K38.6Very low37.6Very low204 Ų204134.7 Ų134.789%0.88778%0.781SS**  trans-90.7127.9170.2-75.2-176.9175.2-1780111.5
251E44.9Very low38.2Very low174 Ų174133.9 Ų133.981%0.81378%0.775SS**  trans-152.2140.2147.7-75.2-159.6-173.500106.7
252N44.3Very low38.8Very low131 Ų131135.3 Ų135.370%0.70178%0.784SS**  cis-152.4-177.8-10.1-96.7-33.8000109.7
253E45.3Very low39.3Very low192 Ų192132 Ų13290%0.89778%0.778SS**  trans-59.7162.6175.6-44.4174.2105.500112.6
254A42.8Very low39.4Very low94 Ų94133.8 Ų133.878%0.77778%0.782SS**  cis-150.7-162.50.600000107.7
255E40.9Very low40Very low174 Ų174136.6 Ų136.681%0.81379%0.792SS**  cis-156.5147.2-0.9-175.6177.1-116.100108.1
256P36.8Very low40Very low119 Ų119136.2 Ų136.277%0.77379%0.79SS**  trans-100.8122.4-178.835.4-30.8000115.4
257S40.4Very low40Very low109 Ų109142.3 Ų142.376%0.76281%0.805SS**  trans-169.5154.5164.4-93.10000111.4
258T37.5Very low40.1Very low128 Ų128145.1 Ų145.179%0.78581%0.805SS**  cis-155.3158.7-17.5-98.70000107.8
259A33.4Very low39.9Very low91 Ų91144.5 Ų144.575%0.75280%0.803SS**  trans-45.5152.1-169.800000118.9
260S37.3Very low40.4Very low122 Ų122144 Ų14485%0.85380%0.799SS**  trans-150143.9135.9-168.10000110.7
261S38.6Very low40.9Very low107 Ų107139.4 Ų139.475%0.74879%0.791SS**  trans-115.5142.4-175-52.10000111.3
262V43.5Very low40.4Very low145 Ų145135.8 Ų135.888%0.87979%0.79SS**  trans-134.5126161.8-176.70000108.2
263P38.9Very low40.2Very low105 Ų105139.6 Ų139.668%0.68280%0.796SS**  trans-109.3167.8-172.440.9-35.6000114.8
264L36.5Very low39.8Very low159 Ų159137.6 Ų137.683%0.83279%0.792SS**  trans75.7146.6155.1-73.9160.7000120.1
265Q43.2Very low39.4Very low184 Ų184142.6 Ų142.686%0.8680%0.799SS**  trans71.289.1164.7-40.9-155.6-97.300118.3
266D39.1Very low38.9Very low155 Ų155138.4 Ų138.483%0.82979%0.794SS**  -150.5152.7103.9-162.524.7000110.6
267E33.7Very low38.8Very low177 Ų177138.1 Ų138.183%0.82779%0.792SS**  trans-115.3105.2-174.5-71.7-179102.500112
268Q38.7Very low38.3Very low178 Ų178142.2 Ų142.283%0.83280%0.799SS**  trans-130.378.4169.5-89.4-77-90.600110.3
269E37.8Very low38Very low169 Ų169142 Ų14279%0.7980%0.798SS**PPolyproline II helixtrans-67.8128.1163.1-172.3177.2150.200109
270P56.4Low37.8Very low106 Ų106143.3 Ų143.369%0.68880%0.796SS**PPolyproline II helixtrans-69133.4176.628.7-33.3000109.6A272P270-A272 PolarHBondContact O-N 2.93Å
271P50.1Low37.5Very low109 Ų109146 Ų14671%0.70880%0.8SS**PPolyproline II helixtrans-65.8122.7-173.226.1-34.3000111.3Y273P271-Y273 PolarHBondContact O-N 3.33Å
272A33.7Very low37Very low97 Ų97149.3 Ų149.380%0.80280%0.804SS**PPolyproline II helixtrans-59.1128.9164.600000109.4P270P270-A272 PolarHBondContact O-N 2.93Å
273Y40Very low36.3Very low212 Ų212146.4 Ų146.483%0.83180%0.795SS**  trans-122.6150.5174.4-111.3-80.7000110.6P271P271-Y273 PolarHBondContact O-N 3.33Å
274D37.6Very low36.1Very low150 Ų150149.6 Ų149.680%0.80281%0.806SS**  trans-67.2155.1-154-81-66.4000117.5A276D274-A276 PolarHBondContact O-N 3.1Å
275Q33.3Very low36Very low199 Ų199148.3 Ų148.393%0.9380%0.799SS**  trans-62.5117.4170.9-173.5176.831.500111
276A31.7Very low35.8Very low85 Ų85146.6 Ų146.670%0.70279%0.791SS**  trans-128.3155.6173.900000110.3D274D274-A276 PolarHBondContact O-N 3.1Å
277P33.1Very low35.8Very low113 Ų113141.5 Ų141.573%0.73477%0.765SS**  trans-70.6153.1-150.1-23.535.2000116.6V279P277-V279 PolarHBondContact O-N 2.96Å; P277-V279 VanDerWaalsContact O-N 3.08Å
278E30.6Very low36Very low196 Ų196137.9 Ų137.992%0.91675%0.749SS**  trans-58.1107.1158.1-68.2171.9104.300109.3
279V31.2Very low36.1Very low124 Ų124130 Ų13075%0.75271%0.714SS**  trans-94112.3168.2178.20000107.7P277 L281P277-V279 PolarHBondContact O-N 2.96Å; P277-V279 VanDerWaalsContact O-N 3.08Å; V279-L281 PolarHBondContact O-N 3.16Å
280T29.1Very low36.2Very low118 Ų118123.7 Ų123.772%0.72469%0.687SS**  trans-56.7122.8178-32.30000110.2Q282T280-Q282 VanDerWaalsContact C-N 3.28Å; T280-Q282 PolarHBondContact O-N 3.19Å
281L30.6Very low35.7Very low179 Ų179119.5 Ų119.594%0.93766%0.659SS**  trans-73.183.6173.6-70.1175000109.7V279V279-L281 PolarHBondContact O-N 3.16Å
282Q28.2Very low35.5Very low175 Ų175116.9 Ų116.982%0.81864%0.638SS**  trans-138.978.6176-167.5174.838.100110.7T280T280-Q282 VanDerWaalsContact C-N 3.28Å; T280-Q282 PolarHBondContact O-N 3.19Å
283A29.6Very low35.9Very low84 Ų84115.5 Ų115.569%0.69462%0.616SS**  trans-154.198.4166.400000108.3I285A283-I285 PolarHBondContact O-N 2.77Å
284D34.3Very low36Very low172 Ų172107.1 Ų107.192%0.9259%0.588SS**  trans-65.4119.9166.7-72.9-56.9000108.4
285I34.9Very low36.2Very low132 Ų132101.5 Ų101.568%0.67756%0.561SS**  trans-9694.7174-56.9179.6000106.7A283 V287A283-I285 PolarHBondContact O-N 2.77Å; I285-V287 HydrophobicContact CG2-CG2 3.99Å; I285-V287 PolarHBondContact O-N 3.47Å
286E37.9Very low36.9Very low149 Ų14994.3 Ų94.370%0.69653%0.53SS*.  trans-68.393.8176.6-171179176.600110.2M288E286-M288 HydrophobicContact CG-CG 4.4Å; E286-M288 PolarHBondContact O-N 3.4Å
287V40.4Very low37.5Very low48 Ų4896.2 Ų96.229%0.29152%0.521SS..  trans-86.390.1177.2-176.80000109.6I285I285-V287 HydrophobicContact CG2-CG2 3.99Å; I285-V287 PolarHBondContact O-N 3.47Å
288M37.9Very low38.2Very low100 Ų10095.2 Ų95.249%0.49351%0.509SS..EExtended strand (participates in β ladder)trans-70.4127.2167.4-61.8-171.980.100110.2E286 Y308E286-M288 HydrophobicContact CG-CG 4.4Å; E286-M288 PolarHBondContact O-N 3.4Å; M288-Y308 HydrophobicContact CE-CD1 4.05Å
289S40.4Very low39.5Very low13 Ų1393.4 Ų93.49%0.09151%0.506CS..EExtended strand (participates in β ladder)trans-119.9138.4167.7-650000110.3I309S289-I309 PolarHBondContact N-O 3.49Å; S289-I309 PolarHBondContact O-N 3Å
290T40.2Very low40Very low37 Ų3791.8 Ų91.823%0.22750%0.496CS..EExtended strand (participates in β ladder)trans-112.7123.6-177.1-55.50000109.2V306 T424T290-V306 HydrophobicContact CG2-CG1 3.69Å; T290-T424 PolarHBondContact N-O 3.41Å; T290-T424 PolarHBondContact O-N 3.3Å; T290-T424 PolarHBondContact O-OG1 3.26Å
291V44.6Very low41Very low17 Ų1791.2 Ų91.210%0.10349%0.494CS..EExtended strand (participates in β ladder)trans-102.5128174.2-1790000109.4I293 V307 I309 V421 I423V291-I293 HydrophobicContact CG1-CG1 4Å; V291-V307 PolarHBondContact N-O 2.96Å; V291-V307 PolarHBondContact O-N 3.35Å; V291-V307 VanDerWaalsContact O-N 3.12Å; V291-I309 HydrophobicContact CG2-CD1 3.5Å; V291-I309 VanDerWaalsContact CG2-CD1 3.5Å; V291-I309 HydrophobicContact CG2-CG1 4.28Å; V291-V421 HydrophobicContact CG1-CG1 3.81Å; V291-I423 HydrophobicContact CG2-CG1 4.29Å; V291-I423 HydrophobicContact CG2-CG2 4.39Å
292H46.1Very low41.9Very low54 Ų5486.2 Ų86.225%0.2547%0.471CS..EExtended strand (participates in β ladder)trans-101.1130173.1-163.4-80.5000108.5S294 E304 V421 E422H292-S294 PolarHBondContact CE1-OG 3.12Å; H292-S294 PolarHBondContact ND1-OG 2.89Å; H292-E304 IonicContact CD2-OE1 3.79Å; H292-E304 IonicContact CE1-OE1 2.66Å; H292-E304 WeakPolarHBondContact NE2-CG 3.43Å; H292-E304 IonicContact NE2-OE1 2.75Å; H292-E304 PolarHBondContact NE2-OE1 3.1Å; H292-E304 IonicContact NE2-OE2 3.03Å; H292-V421 WeakPolarHBondContact O-CA 3.3Å; H292-E422 HydrophobicContact CB-CB 4.17Å; H292-E422 PolarHBondContact N-O 3.48Å; H292-E422 PolarHBondContact O-N 3.16Å; H292-E422 VanDerWaalsContact O-N 3.1Å
293I42.5Very low42.8Very low68 Ų6884 Ų8435%0.34947%0.47SS..EExtended strand (participates in β ladder)trans-122110.5178.6-53.9-179.3000108.3V291 L419V291-I293 HydrophobicContact CG1-CG1 4Å; I293-L419 HydrophobicContact CG2-CD1 3.75Å
294S41.4Very low43.6Very low36 Ų3686 Ų8625%0.25246%0.464SS..EExtended strand (participates in β ladder)trans-105.9126.5177.4-73.70000110.2H292 E420H292-S294 PolarHBondContact CE1-OG 3.12Å; H292-S294 PolarHBondContact ND1-OG 2.89Å; S294-E420 PolarHBondContact N-O 3.01Å; S294-E420 PolarHBondContact O-N 2.98Å
295S42.3Very low44Very low33 Ų3379.4 Ų79.423%0.23144%0.437CS..EExtended strand (participates in β ladder)trans-125.3120.3-178.41800000109.7V302S295-V302 PolarHBondContact O-N 2.68Å
296V48.5Very low44.3Very low47 Ų4776.6 Ų76.629%0.28543%0.426SS..EExtended strand (participates in β ladder)trans-110.4127.7178.7-175.80000109.5H418V296-H418 PolarHBondContact N-O 3.22Å; V296-H418 PolarHBondContact O-N 3.35Å
297Y44.5Very low44.6Very low126 Ų12671.2 Ų71.249%0.49440%0.403SS..EExtended strand (participates in β ladder)trans-131.3116176.5-179.5-110.7000109.6D299 V300Y297-D299 PolarHBondContact O-N 3.25Å; Y297-V300 PolarHBondContact N-O 3.45Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 PolarHBondContact O-N 3.41Å; Y297-V300 VanDerWaalsContact O-N 3.12Å
298N48.3Very low44.5Very low92 Ų9275.7 Ų75.749%0.49242%0.416SS..THydrogen-bonded Turntrans51.850.5-175.8-56.1-31.8000113.2V300N298-V300 PolarHBondContact O-N 3.44Å
299D56.6Low44.8Very low158 Ų15872.2 Ų72.285%0.84540%0.399SS*.THydrogen-bonded Turntrans5811.3-176.8-53.8-33.7000115.5Y297Y297-D299 PolarHBondContact O-N 3.25Å
300V41.1Very low44.8Very low89 Ų8977.4 Ų77.454%0.53942%0.422SS..EExtended strand (participates in β ladder)trans-101.8125.8172.5-178.60000109.3Y297 N298 V302Y297-V300 PolarHBondContact N-O 3.45Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 PolarHBondContact O-N 3.41Å; Y297-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 PolarHBondContact O-N 3.44Å; V300-V302 PolarHBondContact O-N 2.94Å
301P51.7Low44.6Very low106 Ų10680 Ų8069%0.68843%0.431SS*.EExtended strand (participates in β ladder)trans-70.1122171.328.6-32.8000109.9
302V49.5Very low44Very low75 Ų7583.3 Ų83.346%0.45545%0.448SS..EExtended strand (participates in β ladder)trans-83.1141.2169.4-176.70000107.9S295 V300 E304S295-V302 PolarHBondContact O-N 2.68Å; V300-V302 PolarHBondContact O-N 2.94Å; V302-E304 PolarHBondContact O-N 3Å
303T46.4Very low43.6Very low129 Ų12987.2 Ų87.279%0.79148%0.478SS*.EExtended strand (participates in β ladder)trans-50.9119.4-165.244.20000114.3
304E46.8Very low43.4Very low125 Ų12593.1 Ų93.158%0.58450%0.504SS*.EExtended strand (participates in β ladder)trans-43.2130.8169.8178.7178.9162.400113.6H292 V302H292-E304 IonicContact CD2-OE1 3.79Å; H292-E304 IonicContact CE1-OE1 2.66Å; H292-E304 WeakPolarHBondContact NE2-CG 3.43Å; H292-E304 IonicContact NE2-OE1 2.75Å; H292-E304 PolarHBondContact NE2-OE1 3.1Å; H292-E304 IonicContact NE2-OE2 3.03Å; V302-E304 PolarHBondContact O-N 3Å
305G42.2Very low42.9Very low34 Ų3497.9 Ų97.935%0.35152%0.523SS..EExtended strand (participates in β ladder)trans-119.8116.517600000111.5
306V40.7Very low42.5Very low72 Ų72100.5 Ų100.544%0.43653%0.533SS..EExtended strand (participates in β ladder)trans-88.1123.1174.5-179.40000109.4T290 Y308T290-V306 HydrophobicContact CG2-CG1 3.69Å; V306-Y308 HydrophobicContact CG1-CE2 4.49Å
307V43.8Very low41.7Very low37 Ų37101.4 Ų101.422%0.22454%0.538CS..EExtended strand (participates in β ladder)trans-117.7124.8176.6-175.80000110V291 I318V291-V307 PolarHBondContact N-O 2.96Å; V291-V307 PolarHBondContact O-N 3.35Å; V291-V307 VanDerWaalsContact O-N 3.12Å; V307-I318 HydrophobicContact CG1-CG2 4.19Å
308Y39.7Very low41.4Very low142 Ų14299.1 Ų99.156%0.55753%0.534SS*.EExtended strand (participates in β ladder)trans-85.5132.2172.5-59.3-79.3000109.9M288 V306 P319M288-Y308 HydrophobicContact CE-CD1 4.05Å; V306-Y308 HydrophobicContact CG1-CE2 4.49Å; Y308-P319 WeakPolarHBondContact O-CD 3.45Å; Y308-P319 WeakPolarHBondContact O-CG 3.49Å
309I44.4Very low40.8Very low27 Ų2797.9 Ų97.914%0.13853%0.531CS..EExtended strand (participates in β ladder)trans-114.9123175.3-61-175.5000109.2S289 V291 I316 I318S289-I309 PolarHBondContact N-O 3.49Å; S289-I309 PolarHBondContact O-N 3Å; V291-I309 HydrophobicContact CG2-CD1 3.5Å; V291-I309 VanDerWaalsContact CG2-CD1 3.5Å; V291-I309 HydrophobicContact CG2-CG1 4.28Å; I309-I316 HydrophobicContact CG2-CG2 3.64Å; I309-I318 HydrophobicContact CD1-CD1 4.3Å; I309-I318 HydrophobicContact CD1-CG1 4.15Å; I309-I318 HydrophobicContact CG1-CG1 4.4Å
310E38.9Very low39.8Very low121 Ų12199.3 Ų99.357%0.56553%0.53SS*.EExtended strand (participates in β ladder)trans-88118.1170.7-171.2-176.8167.500108.6
311Q35.9Very low39.6Very low91 Ų91100.3 Ų100.343%0.42554%0.536SS..EExtended strand (participates in β ladder)trans-10489.9-175.2-171.2171.817.800111.5
312L32.8Very low38.7Very low88 Ų88102 Ų10246%0.46154%0.54SS..EExtended strand (participates in β ladder)trans-71.2146.1168.1-62.7173.8000110E314 Q315L312-E314 PolarHBondContact O-N 3.22Å; L312-Q315 PolarHBondContact N-O 3.05Å; L312-Q315 PolarHBondContact O-N 3.33Å
313P37.2Very low37.9Very low136 Ų136106.1 Ų106.188%0.88355%0.554SS**THydrogen-bonded Turntrans-56.2-23.5-168.1-30.536.6000116.9
314E38.3Very low37.2Very low191 Ų191105.5 Ų105.589%0.89355%0.55SS*.THydrogen-bonded Turntrans-120.11.4178.4-58.2-167.5152.500113.8L312L312-E314 PolarHBondContact O-N 3.22Å
315Q32.5Very low36.4Very low136 Ų136103.9 Ų103.964%0.63656%0.558SS**EExtended strand (participates in β ladder)trans-153.3116.3-173-155.1144.811700113.1L312 V317L312-Q315 PolarHBondContact N-O 3.05Å; L312-Q315 PolarHBondContact O-N 3.33Å; Q315-V317 HydrophobicContact CG-CG2 4.33Å; Q315-V317 PolarHBondContact O-N 2.92Å
316I33.9Very low35.7Very low89 Ų89107.8 Ų107.846%0.45658%0.579SS.*EExtended strand (participates in β ladder)trans-80.3113.9169.1-58.7174.7000107.8I309 I318I309-I316 HydrophobicContact CG2-CG2 3.64Å; I316-I318 HydrophobicContact CG2-CG1 4.12Å
317V31.1Very low35.1Very low65 Ų65112.8 Ų112.839%0.39460%0.602SS.*EExtended strand (participates in β ladder)trans-104.4120.6173.8-178.30000108.1Q315 P319Q315-V317 HydrophobicContact CG-CG2 4.33Å; Q315-V317 PolarHBondContact O-N 2.92Å; V317-P319 WeakPolarHBondContact O-CD 3.28Å
318I37.7Very low34.5Very low79 Ų79119.3 Ų119.341%0.40563%0.627SS.*  trans-102.5105.2177.3-55.6179.6000108.1V307 I309 I316 F320V307-I318 HydrophobicContact CG1-CG2 4.19Å; I309-I318 HydrophobicContact CD1-CD1 4.3Å; I309-I318 HydrophobicContact CD1-CG1 4.15Å; I309-I318 HydrophobicContact CG1-CG1 4.4Å; I316-I318 HydrophobicContact CG2-CG1 4.12Å; I318-F320 HydrophobicContact CB-CE2 4.47Å; I318-F320 HydrophobicContact CG2-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CZ 4.28Å; I318-F320 PolarHBondContact O-N 3.26Å
319P35.3Very low34.2Very low66 Ų66121.4 Ų121.443%0.42964%0.642SS.*  trans-72.3120.2172.329.3-32.8000110Y308 V317 T321Y308-P319 WeakPolarHBondContact O-CD 3.45Å; Y308-P319 WeakPolarHBondContact O-CG 3.49Å; V317-P319 WeakPolarHBondContact O-CD 3.28Å; P319-T321 PolarHBondContact O-N 2.91Å
320F35.6Very low33.7Very low188 Ų188126.5 Ų126.583%0.82567%0.669SS**  trans-88105172.6-70.5-84.8000110I318 D322I318-F320 HydrophobicContact CB-CE2 4.47Å; I318-F320 HydrophobicContact CG2-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CZ 4.28Å; I318-F320 PolarHBondContact O-N 3.26Å; F320-D322 PolarHBondContact O-N 3.22Å
321T37Very low33.3Very low109 Ų109130 Ų13067%0.66969%0.686SS**  trans-72110.8176.5-40.40000110.5P319 Q323P319-T321 PolarHBondContact O-N 2.91Å; T321-Q323 HydrophobicContact CG2-CG 4Å; T321-Q323 PolarHBondContact O-N 3.02Å
322D33.4Very low33.1Very low141 Ų141134.5 Ų134.575%0.75471%0.707SS**  trans-76.582.9-178.7-166.116.2000111.7F320F320-D322 PolarHBondContact O-N 3.22Å
323Q32.9Very low33.3Very low163 Ų163136.2 Ų136.276%0.76273%0.726SS**  trans-12279.2178.1-75.5-85.423.400109.6T321 A325T321-Q323 HydrophobicContact CG2-CG 4Å; T321-Q323 PolarHBondContact O-N 3.02Å; Q323-A325 PolarHBondContact O-N 3Å; Q323-A325 VanDerWaalsContact O-N 3.14Å
324V31.2Very low33.2Very low116 Ų116139 Ų13970%0.70373%0.725SS**  trans-66.2108.8175.2-83.90000111.6C326V324-C326 PolarHBondContact O-N 2.77Å
325A29.7Very low33.2Very low91 Ų91137.3 Ų137.375%0.75272%0.717SS**  trans-69.694.3172.400000110.8Q323 L327Q323-A325 PolarHBondContact O-N 3Å; Q323-A325 VanDerWaalsContact O-N 3.14Å; A325-L327 PolarHBondContact O-N 3Å
326C29Very low33.3Very low116 Ų116137.4 Ų137.478%0.78472%0.721SS**  trans-64.997.4179-67.60000112V324 K328V324-C326 PolarHBondContact O-N 2.77Å; C326-K328 PolarHBondContact O-N 3.15Å; C326-K328 VanDerWaalsContact O-N 3.08Å
327L27.6Very low33.3Very low177 Ų177141.2 Ų141.293%0.92774%0.737SS**  trans-63.9109170.8-115.5172.7000109.7A325 E329A325-L327 PolarHBondContact O-N 3Å; L327-E329 PolarHBondContact O-N 3.35Å; L327-E329 VanDerWaalsContact O-N 3.14Å
328K30.6Very low33.5Very low174 Ų174145.7 Ų145.776%0.75775%0.754SS**  trans-83.490.1-174.6-169-178.8-177.4-1760110.5C326 N330C326-K328 PolarHBondContact O-N 3.15Å; C326-K328 VanDerWaalsContact O-N 3.08Å; K328-N330 PolarHBondContact O-N 3.44Å
329E33.2Very low33.3Very low186 Ų186147.4 Ų147.487%0.86977%0.773SS**  trans-59.1120.7168.7-171176.1175.500109.5L327L327-E329 PolarHBondContact O-N 3.35Å; L327-E329 VanDerWaalsContact O-N 3.14Å
330N34.3Very low33.3Very low133 Ų133149.8 Ų149.871%0.71179%0.788SS**  trans-85.1122.5176.3-73.7-48000109.3K328 Q332K328-N330 PolarHBondContact O-N 3.44Å; N330-Q332 PolarHBondContact O-N 3.1Å; N330-Q332 VanDerWaalsContact O-N 3.17Å
331E30.2Very low33.1Very low195 Ų195152.4 Ų152.491%0.91179%0.793SS**  trans-56.9114176.4-56.1178100.400111.9
332Q31.3Very low32.9Very low186 Ų186153.4 Ų153.487%0.86980%0.798SS**  trans-165.274.9146.2-159.6162.8-21.100115.4N330N330-Q332 PolarHBondContact O-N 3.1Å; N330-Q332 VanDerWaalsContact O-N 3.17Å
333S38Very low32.6Very low123 Ų123152 Ų15286%0.8680%0.8SS**  trans-172133.3138.428.40000114.1
334K34.2Very low32.7Very low196 Ų196149.1 Ų149.185%0.85280%0.795SS**  trans-88.4163.6154.5-60.5175-179.1176.50106.4
335E39.5Very low32.6Very low155 Ų155153 Ų15372%0.72480%0.802SS**  cis-172.1165.242.2-157.7-179.7114.100111.8
336N34.4Very low32.3Very low138 Ų138153.1 Ų153.174%0.73880%0.797SS**  trans79.4150.5161.4-70.2-50.1000121.4
337E32.9Very low32.3Very low169 Ų169154 Ų15479%0.7980%0.799SS**  trans-114.1172.8-166.3-56.5171.865.300112.2
338Q36.5Very low32.4Very low158 Ų158151.7 Ų151.774%0.73879%0.792SS**  144.592.8107.1-158.4150.788.300115.8
339S33.7Very low32.3Very low116 Ų116151.8 Ų151.881%0.81180%0.795SS**  trans65.1129.6147.6-64.30000122.6
340P34.4Very low32.2Very low115 Ų115153.1 Ų153.175%0.74780%0.798SS**  trans-108.9167.1174.840.9-34.5000114.5
341R30.6Very low31.9Very low244 Ų244152.6 Ų152.692%0.92180%0.8SS**  trans-164.4153.6158.6-125.4173.8-162.8-153.73.5117.3
342V33.3Very low32.1Very low130 Ų130149.7 Ų149.779%0.78880%0.796SS**  trans76.8107163.2-168.70000119.7
343S27.3Very low32Very low111 Ų111146.9 Ų146.978%0.77680%0.797SS**  trans-93.5162.9147.3-27.90000109
344P34.1Very low31.7Very low102 Ų102144.9 Ų144.966%0.66280%0.795SS**  -162.9162.385.841.8-22000119.3
345K28.9Very low31.7Very low198 Ų198143.8 Ų143.886%0.86180%0.795SS**  trans59.4160.5141-74.6172.8-1781790120.2
346S25.1Very low31.3Very low93 Ų93141.6 Ų141.665%0.6580%0.797SS**  cis-179.3-173.4-28.955.80000107.8
347V27.7Very low31.4Very low134 Ų134145.6 Ų145.681%0.81281%0.808SS**  trans80.4133.3170.7174.80000114.6
348V30.3Very low31.3Very low130 Ų130146.4 Ų146.479%0.78881%0.809SS**  cis-152.8164.8-8.7115.30000111.4
349E27.9Very low31Very low175 Ų175144.1 Ų144.182%0.81881%0.81SS**  trans-72.9161.7178.6-50.9173117.800115.4
350K31.9Very low30.8Very low214 Ų214143.8 Ų143.893%0.9380%0.803SS**  trans-151.8140.7146.7-158.6169.8-175.5178.60112.5
351T26.6Very low30.6Very low123 Ų123146.9 Ų146.976%0.75581%0.808SS**  trans-119.9133.2-163.8-7.40000114.1
352T34.7Very low30.4Very low134 Ų134140.1 Ų140.182%0.82280%0.798SS**  trans-158110157.843.90000107.3
353S29.2Very low30.4Very low127 Ų127140.6 Ų140.689%0.88880%0.8SS**  71.6113.469-166.40000113.7
354G32.1Very low30.6Very low80 Ų80144.4 Ų144.483%0.82580%0.803SS**  trans-178.350.4-171.400000117.4
355M33.9Very low30.1Very low174 Ų174147.9 Ų147.986%0.85782%0.815SS**  trans-15.2118.6176.4-170.3170.271.500121.8
356S31.9Very low30.2Very low108 Ų108142.7 Ų142.776%0.75581%0.809SS**  trans41.9136134.7-47.70000123.9
357K37.2Very low30.3Very low222 Ų222147.2 Ų147.297%0.96582%0.82SS**  -154.8165.8120.2-110.8163-170.5175.90112.5
358K30.1Very low30.4Very low186 Ų186148.9 Ų148.981%0.80982%0.823SS**  trans-120.4142.5-166.8171.9-173.7177.9-176.30110.2
359S30.8Very low30.4Very low110 Ų110150.8 Ų150.877%0.76982%0.824SS**  trans-134.6156153.2-162.10000110.4
360V28.8Very low30.5Very low110 Ų110150.9 Ų150.967%0.66782%0.824SS**  trans-142.6128.8174.4170.70000105.3
361E29.6Very low30.6Very low180 Ų180148.5 Ų148.584%0.84182%0.821SS**  trans-140.8150.6172.5-167.1147.4-148.500110.6
362S26.9Very low30.7Very low102 Ų102147 Ų14771%0.71382%0.822SS**  trans-137.4121.4-168.6-58.70000110
363V33.6Very low30.7Very low139 Ų139149.6 Ų149.684%0.84282%0.821SS**  trans-119.593.2172.9-174.60000106.4
364K31.4Very low30.7Very low191 Ų191154.4 Ų154.483%0.8382%0.822SS**  72.483.576.2-164.3-179.4-173.3-1770111.3
365L24.6Very low30.5Very low176 Ų176155.2 Ų155.292%0.92182%0.815SS**  trans-62.2129.1176.4-144.9172.9000109.9
366A30.6Very low30.5Very low88 Ų88150.9 Ų150.973%0.72780%0.802SS**  trans-10714017600000111
367Q26Very low30.4Very low188 Ų188150.8 Ų150.888%0.87980%0.796SS**  trans-76.3135.2-177.5-178.4177.33.100111
368L30.4Very low30Very low170 Ų170148.1 Ų148.189%0.8978%0.781SS**  trans-138.2144.6166.7-166.5137.2000109.9
369E30.5Very low30.1Very low170 Ų170144.6 Ų144.679%0.79477%0.769SS**  trans-89.5164.1-160.3-74.9174.5101.600115.6
370E29.9Very low30Very low177 Ų177147 Ų14783%0.82777%0.768SS**  trans-59.4131.5177.3179.3179.2163.200113.1
371N33.8Very low30.4Very low163 Ų163145.4 Ų145.487%0.87277%0.766SS**  trans-143133.6154.5-99.7-76.7000109.6
372A29.2Very low30.2Very low92 Ų92144.8 Ų144.876%0.7676%0.763SS**  trans-96110.1-164.100000113.6
373K35Very low30.5Very low188 Ų188143.6 Ų143.682%0.81776%0.76SS**SBendtrans-160.8133.9149.5-110.7171.6-177.2-178.90109.8S375K373-S375 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact O-N 3.14Å
374Y28.2Very low30.1Very low228 Ų228142.9 Ų142.989%0.89476%0.756SS**  trans8.284.9169.8-56.6-84000116.3S376Y374-S376 PolarHBondContact O-N 3.48Å
375S28.5Very low30.1Very low98 Ų98137.8 Ų137.869%0.68575%0.749SS**  trans-82.6105.4176.6-171.40000109.9K373K373-S375 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact O-N 3.14Å
376S33.6Very low30.3Very low82 Ų82137.2 Ų137.257%0.57375%0.747SS**  trans-59.4154.3138.951.60000108.4Y374Y374-S376 PolarHBondContact O-N 3.48Å
377V29.5Very low30.4Very low106 Ų106140 Ų14064%0.64275%0.748SS**  trans-114.591.9176.2-1800000107.4M379V377-M379 PolarHBondContact O-N 3.39Å
378Y28.9Very low30.6Very low167 Ų167135.9 Ų135.966%0.65574%0.74SS**  trans-60.7125.4170.1-111.6-119.7000109.5E380Y378-E380 HydrophobicContact CD1-CG 4.44Å
379M32.8Very low30.8Very low111 Ų111131.9 Ų131.955%0.54772%0.72SS.*  trans-134.991.4167.3-88.5-167.9-63.200108.6L8 V377L8-M379 HydrophobicContact CB-CE 4.5Å; L8-M379 HydrophobicContact CD2-CE 3.61Å; V377-M379 PolarHBondContact O-N 3.39Å
380E29Very low30.8Very low161 Ų161130.1 Ų130.175%0.75272%0.721SS**  trans-66.6136.3164.2-65.5167.8130.100109Y378Y378-E380 HydrophobicContact CD1-CG 4.44Å
381A35.6Very low30.8Very low76 Ų76126.7 Ų126.763%0.62872%0.717SS**  trans-134.370.6-175.200000110.6A383A381-A383 PolarHBondContact O-N 3.23Å
382E27.2Very low31Very low167 Ų167126 Ų12678%0.7871%0.712SS**  trans-53.4122.2179.2-69.2-169.3125.800112.4
383A31.4Very low31.1Very low77 Ų77131.3 Ų131.364%0.63672%0.718SS**  trans-121.979.3177.900000110.8A381 A385A381-A383 PolarHBondContact O-N 3.23Å; A383-A385 PolarHBondContact O-N 2.97Å
384T27Very low30.8Very low125 Ų125125.5 Ų125.577%0.76771%0.712SS**  trans-70.789.3-179.429.90000112.8L386T384-L386 PolarHBondContact O-N 3.32Å
385A31.2Very low31Very low83 Ų83123.5 Ų123.569%0.68671%0.71SS**  trans-81.5102.9173.800000111.7A383 L387A383-A385 PolarHBondContact O-N 2.97Å; A385-L387 PolarHBondContact O-N 3.02Å
386L29.2Very low31.2Very low165 Ų165123.7 Ų123.786%0.86471%0.709SS**  trans-72.788.5175.1-67.3177.1000111.7T384 S388T384-L386 PolarHBondContact O-N 3.32Å; L386-S388 PolarHBondContact O-N 2.94Å
387L31.7Very low31Very low146 Ų146128.1 Ų128.176%0.76472%0.721SS**  trans-72.7103.6171.9-68.6175.9000110.6A385 D389A385-L387 PolarHBondContact O-N 3.02Å; L387-D389 PolarHBondContact O-N 3.31Å; L387-D389 VanDerWaalsContact O-N 3.17Å
388S30.3Very low31.1Very low102 Ų102129.4 Ų129.471%0.71373%0.728SS**  trans-73.4102.6170.9-63.70000109.7L386 T390L386-S388 PolarHBondContact O-N 2.94Å; S388-T390 VanDerWaalsContact C-N 3.29Å; S388-T390 PolarHBondContact O-N 3.41Å
389D34Very low31.2Very low86 Ų86126.3 Ų126.346%0.4673%0.729SS.*  trans-75.571.9-172.4-163.7-8.5000112.8L387 K415L387-D389 PolarHBondContact O-N 3.31Å; L387-D389 VanDerWaalsContact O-N 3.17Å; D389-K415 IonicContact OD2-NZ 3.78Å; D389-K415 PolarHBondContact OD2-NZ 2.95Å
390T30.2Very low30.9Very low133 Ų133125.8 Ų125.882%0.81674%0.742SS**  trans-104.940.6-179.866.50000112.7S388S388-T390 VanDerWaalsContact C-N 3.29Å; S388-T390 PolarHBondContact O-N 3.41Å
391S31.5Very low30.9Very low105 Ų105127.5 Ų127.573%0.73475%0.75SS**  trans-140.616.8178.2-164.30000116.3K393S391-K393 PolarHBondContact O-N 2.85Å
392L36.2Very low30.4Very low149 Ų149131.7 Ų131.778%0.7876%0.761SS**  trans-85.997.9171-67.2-178.2000111.8
393K32.1Very low30.6Very low203 Ų203132.2 Ų132.288%0.88377%0.769SS**  trans-114.484.5177.5-174-178.3179.4178.70111S391S391-K393 PolarHBondContact O-N 2.85Å
394G29Very low30.4Very low66 Ų66136 Ų13668%0.6878%0.778SS**  trans160.560172.800000118.2
395Q32.5Very low30.4Very low186 Ų186133.9 Ų133.987%0.86977%0.773SS**  trans-137.5151.7154.8-85.4-56.1-78.700111.1
396P31.8Very low30.3Very low102 Ų102139.5 Ų139.566%0.66279%0.785SS**  trans-90.7165.3-165.836.4-36.5000114.6
397E29Very low30.2Very low175 Ų175134.8 Ų134.882%0.81878%0.776SS**  trans-65.5131.9174.2-179.3-179.1175.700112.8
398V31.5Very low30Very low132 Ų132132.6 Ų132.680%0.878%0.779SS**  trans-131.3131.8161.1179.30000108
399P31Very low29.9Very low103 Ų103135.3 Ų135.367%0.66978%0.784SS**  trans-94.2142.5-155.2-7.227.9000115.1
400A27.6Very low29.9Very low100 Ų100140.9 Ų140.983%0.82680%0.804SS**  trans19.1113.214800000119.6
401Q28.7Very low30Very low196 Ų196142 Ų14292%0.91680%0.803SS**  trans-142.1147.5132.7-159.5148.328.200112.2
402L25.4Very low29.8Very low164 Ų164138.9 Ų138.986%0.85979%0.788SS**  trans-61.6133178.4-69147.1000111.9
403L31.1Very low29.7Very low179 Ų179137.3 Ų137.394%0.93779%0.79SS**  trans-136.4154.5139.4-84.8-175.9000109.9
404D26.9Very low29.9Very low157 Ų157134.7 Ų134.784%0.8478%0.781SS**  trans-109.2169.9-166.9-161.6-1.7000110.7
405A28.2Very low30.1Very low79 Ų79138 Ų13865%0.65378%0.777SS**SBendtrans65.2128.4170.700000119.3G407A405-G407 PolarHBondContact O-N 2.88Å
406E28.8Very low30.2Very low202 Ų202133.6 Ų133.694%0.94477%0.766SS**  trans55.335.3137.9-144.1164.7-177.800119.1
407G26.7Very low30.1Very low66 Ų66133.6 Ų133.668%0.6876%0.76SS**  trans-87.9101.8174.400000114.3A405 I409A405-G407 PolarHBondContact O-N 2.88Å; G407-I409 PolarHBondContact O-N 3.22Å
408A27.1Very low30.6Very low100 Ų100129.2 Ų129.283%0.82674%0.739SS**  trans-70.6108.7169.800000111.1K410A408-K410 PolarHBondContact O-N 2.94Å
409I28.8Very low30.8Very low158 Ų158126.9 Ų126.981%0.8172%0.722SS**  trans-72.989.9179.6-56.2178.5000109.8G407 I411G407-I409 PolarHBondContact O-N 3.22Å; I409-I411 PolarHBondContact O-N 3.24Å; I409-I411 VanDerWaalsContact O-N 3.1Å
410K34.8Very low31Very low203 Ų203126.2 Ų126.288%0.88371%0.71SS**  trans-71.696.1173.6-168.7-177.4-174.5-173.70109.2A408 G412A408-K410 PolarHBondContact O-N 2.94Å; K410-G412 PolarHBondContact O-N 3.41Å
411I30.5Very low31.6Very low156 Ų156124.3 Ų124.380%0.869%0.688SS**  trans-60.7122.9175.9-61.7174.6000108.7I409 S413I409-I411 PolarHBondContact O-N 3.24Å; I409-I411 VanDerWaalsContact O-N 3.1Å; I411-S413 PolarHBondContact O-N 2.85Å
412G28Very low32Very low41 Ų41118.8 Ų118.842%0.42366%0.662SS.*  trans-68.4126.1-176.300000112.6K410 E414K410-G412 PolarHBondContact O-N 3.41Å; G412-E414 VanDerWaalsContact C-N 3.29Å; G412-E414 PolarHBondContact O-N 3.14Å; G412-E414 VanDerWaalsContact O-N 3.15Å
413S34.3Very low32.6Very low115 Ų115114.9 Ų114.980%0.80464%0.641SS**  trans-84.871.9171.4176.70000109.5I411I411-S413 PolarHBondContact O-N 2.85Å
414E37.1Very low33.1Very low149 Ų149108.9 Ų108.970%0.69661%0.612SS**  trans-126.113.6-168.865.8-166.995.100114.8G412G412-E414 VanDerWaalsContact C-N 3.29Å; G412-E414 PolarHBondContact O-N 3.14Å; G412-E414 VanDerWaalsContact O-N 3.15Å
415K32.6Very low33.5Very low136 Ų136103.8 Ų103.859%0.59159%0.589SS**  trans-156.267.117237.7-176.5166-178.90112.9D389D389-K415 IonicContact OD2-NZ 3.78Å; D389-K415 PolarHBondContact OD2-NZ 2.95Å
416S33.3Very low33.9Very low92 Ų92105.4 Ų105.464%0.64359%0.585SS**PPolyproline II helixtrans-96.4134.7162-60.40000108.6
417L31.6Very low34.4Very low103 Ų103101.5 Ų101.554%0.53958%0.575SS.*PPolyproline II helixtrans-97.5116.1173.7-166.1154.5000108.3
418H39.4Very low34.9Very low83 Ų83102.2 Ų102.238%0.38457%0.569SS.*EExtended strand (participates in β ladder)trans-88.6132.7178-156-118.4000109.7V296 E420V296-H418 PolarHBondContact N-O 3.22Å; V296-H418 PolarHBondContact O-N 3.35Å; H418-E420 IonicContact CE1-OE1 2.68Å; H418-E420 PolarHBondContact CE1-OE1 3.1Å; H418-E420 IonicContact ND1-OE1 2.64Å; H418-E420 PolarHBondContact ND1-OE1 3.45Å
419L34.5Very low35.4Very low82 Ų82104.3 Ų104.343%0.42957%0.567SS.*EExtended strand (participates in β ladder)trans-128.4108.6-179.1-17967.1000108.8I293 V421I293-L419 HydrophobicContact CG2-CD1 3.75Å; L419-V421 HydrophobicContact CG-CG2 4.18Å
420E35.7Very low35.7Very low89 Ų89103.5 Ų103.542%0.41656%0.564SS.*EExtended strand (participates in β ladder)trans-101.5135.1174.6-75.3157.7-12300109.1S294 H418S294-E420 PolarHBondContact N-O 3.01Å; S294-E420 PolarHBondContact O-N 2.98Å; H418-E420 IonicContact CE1-OE1 2.68Å; H418-E420 PolarHBondContact CE1-OE1 3.1Å; H418-E420 IonicContact ND1-OE1 2.64Å; H418-E420 PolarHBondContact ND1-OE1 3.45Å
421V39.9Very low35.8Very low60 Ų6099.5 Ų99.536%0.36456%0.557SS.*EExtended strand (participates in β ladder)trans-131.1101.1-178.3-176.90000108.5V291 H292 L419 I423V291-V421 HydrophobicContact CG1-CG1 3.81Å; H292-V421 WeakPolarHBondContact O-CA 3.3Å; L419-V421 HydrophobicContact CG-CG2 4.18Å; V421-I423 HydrophobicContact CG1-CG1 4.28Å
422E37.4Very low35.8Very low81 Ų8196 Ų9638%0.37956%0.559SS.*EExtended strand (participates in β ladder)trans-91.6129.7173.4-170.7174.5-163.900109.8H292 T424H292-E422 HydrophobicContact CB-CB 4.17Å; H292-E422 PolarHBondContact N-O 3.48Å; H292-E422 PolarHBondContact O-N 3.16Å; H292-E422 VanDerWaalsContact O-N 3.1Å; E422-T424 HydrophobicContact CG-CG2 4.13Å
423I38.8Very low36Very low81 Ų81101.7 Ų101.742%0.41557%0.574SS.*EExtended strand (participates in β ladder)trans-113.3108.5178.4-55.4179.2000107.8L8 V291 V421L8-I423 HydrophobicContact CD2-CD1 4.29Å; V291-I423 HydrophobicContact CG2-CG1 4.29Å; V291-I423 HydrophobicContact CG2-CG2 4.39Å; V421-I423 HydrophobicContact CG1-CG1 4.28Å
424T40.6Very low35.9Very low53 Ų53105 Ų10533%0.32558%0.578SS.*EExtended strand (participates in β ladder)trans-103.3130.3176.660.30000110.5T290 E422T290-T424 PolarHBondContact N-O 3.41Å; T290-T424 PolarHBondContact O-N 3.3Å; T290-T424 PolarHBondContact O-OG1 3.26Å; E422-T424 HydrophobicContact CG-CG2 4.13Å
425S34.8Very low36Very low51 Ų51106.1 Ų106.136%0.35758%0.582SS.*EExtended strand (participates in β ladder)trans-117.4118.6175.2-176.10000107.8
426I37Very low36.2Very low113 Ų113105.2 Ų105.258%0.57959%0.594SS**  trans-108.6116.7-178.2-54176.9000107.1S428I426-S428 PolarHBondContact O-N 2.77Å
427V38.6Very low36.2Very low120 Ų120104.2 Ų104.273%0.72760%0.598SS**  trans-82.5110.4170.5178.30000107.7D429V427-D429 PolarHBondContact O-N 3.39Å; V427-D429 VanDerWaalsContact O-N 3.1Å
428S38.9Very low36.3Very low81 Ų81108.6 Ų108.657%0.56662%0.616SS**  trans-65.8104.5170-64.60000109.7I426 N430I426-S428 PolarHBondContact O-N 2.77Å; S428-N430 PolarHBondContact O-N 2.95Å; S428-N430 PolarHBondContact O-OD1 3.27Å
429D37.3Very low35.9Very low143 Ų143112.3 Ų112.377%0.76564%0.638SS**  trans-77.3106.1174.5-128.2-19.7000108.4V427 T431V427-D429 PolarHBondContact O-N 3.39Å; V427-D429 VanDerWaalsContact O-N 3.1Å; D429-T431 PolarHBondContact O-N 3.04Å
430N34.2Very low35.8Very low142 Ų142114.3 Ų114.376%0.75966%0.659SS**  trans-74.948.6-170.9-67-25.1000113.5S428 G432S428-N430 PolarHBondContact O-N 2.95Å; S428-N430 PolarHBondContact O-OD1 3.27Å; N430-G432 PolarHBondContact O-N 3.05Å
431T37Very low35.6Very low119 Ų119116.1 Ų116.173%0.7368%0.676SS**  trans-91.290.4175.5-57.90000109.6D429 Q433D429-T431 PolarHBondContact O-N 3.04Å; T431-Q433 PolarHBondContact O-N 3.07Å
432G30.7Very low35.2Very low82 Ų82119.3 Ų119.385%0.84570%0.698SS**  trans-67.5111.9178.700000112.7N430N430-G432 PolarHBondContact O-N 3.05Å
433Q32.4Very low34.8Very low160 Ų160123.8 Ų123.875%0.74872%0.719SS**  trans-133.6125.9152.8-173178.2-3400108.7T431T431-Q433 PolarHBondContact O-N 3.07Å
434E33.2Very low34.4Very low186 Ų186129 Ų12987%0.86974%0.741SS**  trans-70.9133171.6-59.2170.7105.200109.8
435E39.4Very low33.9Very low171 Ų171135 Ų13580%0.79977%0.768SS**  trans-156.7141.9146.3-118.1160.4-132.700110.4
436S36.5Very low33.7Very low118 Ų118139.8 Ų139.883%0.82579%0.785SS**  trans-64.7144.3177.148.90000110.9
437G32.3Very low33.5Very low71 Ų71138.1 Ų138.173%0.73280%0.795SS**  cis96.677.32200000110.6
438E35Very low33.4Very low195 Ų195139.9 Ų139.991%0.91179%0.793SS**  trans-155.6138.7167.6-120.8171.6-171.100110.4
439N29.1Very low33.2Very low161 Ų161141.7 Ų141.786%0.86180%0.803SS**  trans-97.3124.5-175.1-49.1-54.1000110.1
440S32.9Very low33Very low123 Ų123141.5 Ų141.586%0.8681%0.806SS**  trans-158.3130.7158.4-88.70000115.8
441V32.2Very low33.2Very low127 Ų127142.6 Ų142.677%0.7781%0.811SS**  trans-16.9138158.1-177.80000116.2Q443V441-Q443 PolarHBondContact O-N 3.28Å
442P30.1Very low33.4Very low128 Ų128142.9 Ų142.983%0.83182%0.818SS**  trans-68.3123.4171.129.7-34.5000111.1
443Q30.3Very low33.8Very low175 Ų175142.5 Ų142.582%0.81881%0.814SS**  trans-111.9124.6166.9-174.4175-10.100109.9V441 M445V441-Q443 PolarHBondContact O-N 3.28Å; Q443-M445 PolarHBondContact O-N 2.89Å
444E29.7Very low33.8Very low191 Ų191143.9 Ų143.989%0.89382%0.821SS**  trans-64.8126.7172.8-60175.5107.800110.6
445M31.4Very low33.9Very low179 Ų179139.5 Ų139.588%0.88282%0.816SS**  trans-146.6117160.8-153.8164.7-166.100111.8Q443 G447Q443-M445 PolarHBondContact O-N 2.89Å; M445-G447 PolarHBondContact O-N 3.39Å; M445-G447 VanDerWaalsContact O-N 3.1Å
446E30.3Very low33.9Very low151 Ų151135.6 Ų135.671%0.70681%0.813SS**  trans-72.398.2-174.2-172.7-175.3161.800112K448E446-K448 PolarHBondContact O-N 3.2Å; E446-K448 WeakPolarHBondContact OE1-CD 3.35Å; E446-K448 WeakPolarHBondContact OE1-CE 3.27Å; E446-K448 IonicContact OE1-NZ 2.66Å; E446-K448 PolarHBondContact OE1-NZ 3.43Å
447G31.6Very low34Very low77 Ų77139.2 Ų139.279%0.79482%0.817SS**  trans-93.177.9177.500000113.8M445M445-G447 PolarHBondContact O-N 3.39Å; M445-G447 VanDerWaalsContact O-N 3.1Å
448K37.2Very low34Very low157 Ų157139.4 Ų139.468%0.68381%0.812SS**  trans-73.9143.1171.5-83.5178.8174.7144.50112E446E446-K448 PolarHBondContact O-N 3.2Å; E446-K448 WeakPolarHBondContact OE1-CD 3.35Å; E446-K448 WeakPolarHBondContact OE1-CE 3.27Å; E446-K448 IonicContact OE1-NZ 2.66Å; E446-K448 PolarHBondContact OE1-NZ 3.43Å
449P35.2Very low34.1Very low119 Ų119135.9 Ų135.977%0.77380%0.803SS**  trans-70.6133.9-176.728.8-35000111.7L451P449-L451 PolarHBondContact O-N 3.26Å
450V33.4Very low34.5Very low140 Ų140136.2 Ų136.285%0.84880%0.799SS**  trans-76.1106.2174.91770000109.7
451L38.2Very low34.8Very low165 Ų165136.2 Ų136.286%0.86480%0.799SS**  trans-95.1132.3157.6-90.3167.8000109.3P449P449-L451 PolarHBondContact O-N 3.26Å
452S41.2Very low35Very low124 Ų124133.3 Ų133.387%0.86780%0.795SS**  trans-72.4129-178.7-50.10000111.8
453G37.3Very low35.2Very low74 Ų74134.2 Ų134.276%0.76380%0.798SS**  trans17777.3178.400000116.5
454E33.9Very low35.5Very low190 Ų190130.8 Ų130.889%0.88879%0.794SS**  trans45.597.2146.2-153.1142.1111.300121.5
455A35.8Very low35.6Very low94 Ų94128.1 Ų128.178%0.77779%0.79SS**  62.1125.3127.900000124
456A38.5Very low35.9Very low89 Ų89129.2 Ų129.274%0.73679%0.79SS**  trans89.9110.413400000121.5
457E37.5Very low36.1Very low194 Ų194127.6 Ų127.691%0.90780%0.796SS**  trans62.8147.1143.3-63.3-157.3122.700121.1
458A33.3Very low36.6Very low75 Ų75129.7 Ų129.762%0.6280%0.798SS**  cis-169.5172.1-21.200000110.4
459V37.3Very low36.7Very low120 Ų120127 Ų12773%0.72780%0.799SS**  trans66.890.6146.4165.20000118.8
460H38.1Very low37Very low169 Ų169123.9 Ų123.978%0.78279%0.788SS**  69.1137.9123.9-58.5-45.9000124.4
461S39.1Very low37.9Very low123 Ų123123.4 Ų123.486%0.8679%0.788SS**  trans76.7107.8140.6-660000120.8
462G35.3Very low38.2Very low66 Ų66124.5 Ų124.568%0.6879%0.786SS**  134.4117.9111.600000118.9
463T34.7Very low39.2Very low147 Ų147123.8 Ų123.890%0.90278%0.779SS**  trans77.4131.5145.5-3.90000121.1
464S35.8Very low39.9Very low103 Ų103126.2 Ų126.272%0.7278%0.781SS**  trans88.9100138.4-1440000121.1
465V33.4Very low40.6Very low135 Ų135121.2 Ų121.282%0.81877%0.772SS**  43.4108129.1-172.10000118.6
466K37.1Very low41.8Very low201 Ų201123 Ų12387%0.87478%0.776SS**  -158.8135.8117.9-151.5159.9-176.9173.90112.9
467S34.2Very low42.2Very low118 Ų118128.2 Ų128.283%0.82579%0.785SS**  trans-74.9143.3167.1-47.20000110.6
468S41.6Very low42.4Very low120 Ų120122.1 Ų122.184%0.83977%0.774SS**  trans-136.4128.2168.9-170.80000109.6
469S40Very low42.7Very low101 Ų101127.3 Ų127.371%0.70679%0.79SS**PPolyproline II helixtrans-71.7145.9176.6-168.40000111.4
470G41.9Very low43.1Very low53 Ų53128 Ų12855%0.54680%0.795SS.*PPolyproline II helixtrans-71163.4157.800000111.2
471P51.4Low43.6Very low130 Ų130123.9 Ų123.984%0.84479%0.79SS**PPolyproline II helixtrans-80143-172.331.5-34.9000113.4
472F44.4Very low44.6Very low188 Ų188123.7 Ų123.783%0.82579%0.786SS**PPolyproline II helixtrans-71.9150.6162-74.1-97000110.5
473P63Low45.1Very low110 Ų110129.6 Ų129.671%0.71480%0.796SS**PPolyproline II helixtrans-64.5153.1164.529.8-34.5000110.8
474P52.1Low46.1Very low125 Ų125130.2 Ų130.281%0.81279%0.792SS**PPolyproline II helixtrans-70.8140.8-176.529.4-35.1000112.2
475A48.7Very low47.3Very low85 Ų85133.8 Ų133.870%0.70280%0.798SS**PPolyproline II helixtrans-73.5148.8170.200000111.1E477A475-E477 PolarHBondContact O-N 3.22Å; A475-E477 VanDerWaalsContact O-N 3.15Å
476P61Low48.2Very low131 Ų131133.1 Ų133.185%0.85180%0.796SS**  trans-74.2103.2176.229.4-33.6000111.4G478P476-G478 PolarHBondContact O-N 3.08Å
477E46.2Very low48.7Very low198 Ų198133.2 Ų133.293%0.92580%0.8SS**  trans-68.9124.2163.8-64.3-173.8129.300109.6A475A475-E477 PolarHBondContact O-N 3.22Å; A475-E477 VanDerWaalsContact O-N 3.15Å
478G41.8Very low49.5Very low66 Ų66131.3 Ų131.368%0.6880%0.799SS**  trans-176.213.1-175.100000117.9P476 T480P476-G478 PolarHBondContact O-N 3.08Å; G478-T480 PolarHBondContact O-N 3.37Å; G478-T480 VanDerWaalsContact O-N 3.15Å
479L39.1Very low49.9Very low184 Ų184134.4 Ų134.496%0.96380%0.8SS**  trans-85.478.2175.6-73178.6000111.6
480T45.6Very low50.4Low135 Ų135134.6 Ų134.683%0.82880%0.801SS**  trans-90.9106.1165.1-49.10000108.7G478G478-T480 PolarHBondContact O-N 3.37Å; G478-T480 VanDerWaalsContact O-N 3.15Å
481A50.2Low50.7Low82 Ų82138.2 Ų138.268%0.67881%0.813SS**PPolyproline II helixtrans-67.4145.9176.400000111.3E483A481-E483 PolarHBondContact O-N 3.38Å
482P59.8Low50.8Low120 Ų120136.8 Ų136.878%0.77981%0.812SS**PPolyproline II helixtrans-65.9132.2168.428.8-33.2000109.9
483E46.1Very low51Low190 Ų190140.8 Ų140.889%0.88883%0.833SS**PPolyproline II helixtrans-68.9137179.3-168.2168.417900110.7A481A481-E483 PolarHBondContact O-N 3.38Å
484I55Low50.4Low160 Ų160142.4 Ų142.482%0.82184%0.839SS**  trans-101.197.7-177.8-57.4165.3000107.7
485E60Low50.3Low178 Ų178143.3 Ų143.383%0.83284%0.841SS**  trans-67.6137.3168.2-84.1-161.9119.700110.6
486P53.5Low50.4Low121 Ų121146.5 Ų146.579%0.78685%0.848SS**  trans-83.6174.7-177.534.8-36.6000113.6
487E46.2Very low49.8Very low203 Ų203147.4 Ų147.495%0.94985%0.848SS**  trans-63.9146.9-167.8-59.1175.6105.200115.4
488G51.1Low50Low78 Ų78144.3 Ų144.380%0.80484%0.843SS**  trans-143.757.9-176.600000113.2
489E51.3Low50.6Low184 Ų184149.5 Ų149.586%0.8685%0.854SS**  trans-20126.9162.2179.8-176.9-179.700117.1
490S49.2Very low51.4Low105 Ų105147 Ų14773%0.73485%0.847SS**  172153.4120.1450000115.1
491T48.7Very low51.8Low129 Ų129147.9 Ų147.979%0.79185%0.848SS**  trans-1.2127.3162.650.50000119.3
492A52.8Low52Low100 Ų100153.4 Ų153.483%0.82686%0.862SS**  76.2103.650.500000115.8
493E49.9Very low51.3Low273 Ų273156.5 Ų156.5100%1.27687%0.87SS**  trans-1400133.5-164.4174-175.600108.3

Retrieved 493 of 493 residues in 585.3 ms (Link to these results)